Compounds.

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.

Most structurally similar compounds. The percentage is a measure of how structurally similar those molecules are, which is often strongly correlated with their effects.

1

METRIFUDIL

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2

Inosine

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3

Fludarabine

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Fludarabine

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4

2-chloroadenosine

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49.2%

5

[3H]NECA

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49.2%

6

Adenosine Monotungst...

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49.2%

7

I-ABA

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49.2%

8

bromo-deaza-SAH

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49.2%

9

PMID27376512-Compoun...

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49.2%

10

1-Deaza-Adenosine

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49.2%

11

Isoguanosine

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49.2%

12

5'-Deoxy-5'-(N,N-dim...

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49.2%

13

S-tubercidinylhomocy...

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49.2%

14

BVT-115959

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49.2%

15

PMID28870136-Compoun...

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PMID28870136-Compoun...

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49.2%

16

5'-Deoxy-5'-(Methylt...

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49.2%

17

Vidarabine

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Adenosine

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Adenosine

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Adenosine

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49.2%

18

[125I]APNEA

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[125I]APNEA

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49.2%

19

Methylthioadenosine

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49.2%

20

[(2-aminooxyethyl)me...

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49.2%

21

DS-437

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49.2%

22

2-(3''-pyrrolylethyl...

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49.2%

23

(L-)-S-adenosyl-L-ho...

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49.2%

24

5'-S-ethyl-5'-thioad...

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49.2%

25

5'-deoxy-5'-ureidoad...

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49.1%

26

5'-deoxy-5'-[(3-hydr...

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49.1%

27

SAM-e

Ademetionine

48.9%

28

5'-Deoxy-5'-dimethyl...

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48.9%

29

S-Adenosyl methionin...

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48.9%

30

AMA

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46.0%
Similarities computed based on affinities of molecules with selected proteins docking site.
- List of compounds which have the most similar docking sites affinities. The percentage is a measure of how similar the binding affinities of the molecules are, which should be a proxy to how similarly they interact with the brain.
  
  1
  
  RTI-371
  
  RTI-371
  
  2
  
  Nufenoxole
  
  Nufenoxole
  
  3
  
  AM-087
  
  AM-087
  
  4
  
  AM-4030
  
  AM-4030
  
  85.2%
  
  5
  
  ADB-D-5Br-INACA
  
  85.2%
  
  6
  
  Brodifacoum
  
  Brodifacoum
  
  85.1%
  
  7
  
  CBD-1,1-DMH
  
  (+)-CBD-DMH
  
  CBD-DMH
  
  85.1%
  
  8
  
  CUMYL-CHSINACA
  
  85.0%
  
  9
  
  Testosterone caproat...
  
  85.0%
  
  10
  
  AM-2389
  
  AM-2389
  
  85.0%
  
  11
  
  RCS-8
  
  RCS-8
  
  85.0%
  
  12
  
  CBD-1,2-DMH
  
  85.0%
  
  13
  
  L-759,633
  
  L-759,633
  
  L-759,633
  
  84.9%
  
  14
  
  JWH-182
  
  84.8%
  
  15
  
  O-1269
  
  Amide derivative 1
  
  O-1269
  
  84.7%
  
  16
  
  Testosterone isocapr...
  
  84.6%
  
  17
  
  Rosonabant
  
  Rosonabant
  
  84.4%
  
  18
  
  Vanoxerine
  
  Vanoxerine
  
  Vanoxerine
  
  84.4%
  
  19
  
  SGT-4
  
  CHM-081
  
  84.0%
- List of compounds which have the most similar docking sites affinities and have also high dopamine receptor interactions. This is thus a proxy to how much this molecule stimulates the dopamine receptors.
  
  1
  
  N-Me-3-DESMETHYL
  
  2
  
  BODM
  
  3
  
  MM-GEA
  
  4
  
  6-Fluoro-AMT
  
  6-Fluoro-AMT
  
  88.7%
  
  5
  
  4-FPO
  
  88.7%
  
  6
  
  5-Carbamoyl-T
  
  [3H]5-CT
  
  5-Carboxamidotryptam...
  
  88.7%
  
  7
  
  1-(3,5-Dimethoxyphen...
  
  88.7%
  
  8
  
  palfium
  
  Dextromoramide
  
  Levomoramide
  
  Racemoramide
  
  Racemoramide
  
  Levomoramide
  
  Dextromoramide
  
  88.7%
  
  9
  
  1-(2,6-Dimethoxyphen...
  
  88.7%
  
  10
  
  β,N-Me-4-MPEA
  
  88.7%
  
  11
  
  β,3,4-TMPEA
  
  88.7%
  
  12
  
  25H-NMe
  
  88.7%
  
  13
  
  N-Methylhomoveratryl...
  
  88.7%
  
  14
  
  β,N-Me-2-MPEA
  
  88.7%
  
  15
  
  N-Me-3,5-DMPEA
  
  88.7%
  
  16
  
  2,3-HMeMMPEA
  
  88.7%
  
  17
  
  BO3MM
  
  88.7%
  
  18
  
  3-MeO-MA
  
  3-Methoxymethampheta...
  
  88.7%
  
  19
  
  F2-MDA
  
  DiFMDA
  
  88.7%
  
  20
  
  N-Me-2,6-DMPEA
  
  88.7%
- List of compounds which have the most similar docking sites affinities and have also high dopamine receptor interactions, but now using addictive data predicted by a Machine Learning model. In practive this one is slightly more reliable than the other approach. This is thus a proxy to how much this molecule stimulates the dopamine receptors.
  
  1
  
  2-FA
  
  2-fa
  
  2-FA
  
  2-FA
  
  2-Fluoroamphetamine
  
  2
  
  2c-b-an
  
  3
  
  4-FA
  
  4-fa
  
  4-FA
  
  4-FA
  
  4-Fluoroamphetamine
  
  4
  
  1cP-MiPLA
  
  1cP-MIPLA
  
  38.3%
  
  5
  
  bk-ivp
  
  bk-IVP
  
  38.3%
  
  6
  
  methoxyketamine
  
  2-MDCK
  
  38.3%
  
  7
  
  5F-PB-22
  
  5f-pb-22
  
  5F-PB-22
  
  5F-PB-22
  
  5F-PB-22
  
  38.2%
  
  8
  
  3-FA
  
  3-fa
  
  3-FA
  
  3-FA
  
  3-Fluoroamphetamine
  
  38.2%
  
  9
  
  3-Me-PCP
  
  3-Me-PCP
  
  3-Methyl-PCP
  
  38.2%
  
  10
  
  1P-LSD
  
  1p-lsd
  
  1P-LSD
  
  1P-LSD
  
  1P-LSD
  
  38.1%
  
  11
  
  JWH-018
  
  JWH-018
  
  1-Pentyl-3-(1-naphth...
  
  JWH-018
  
  38.1%
  
  12
  
  NEP
  
  NEP
  
  N-Ethylpentedrone
  
  38.0%
  
  13
  
  DOM
  
  dom
  
  DOM
  
  2,5-Dimethoxy-4-meth...
  
  DOM
  
  DOM
  
  2,5-Dimethoxy-4-meth...
  
  38.0%
  
  14
  
  Salvinorin A
  
  Salvinorin A
  
  Salvinorin A
  
  Salvinorin A
  
  Salvinorin A
  
  38.0%
  
  15
  
  2-Aminoindane
  
  2-ai
  
  2-AI
  
  2-Aminoindane
  
  37.8%
  
  16
  
  THJ-2201
  
  THJ-2201
  
  THJ-2201
  
  37.8%
  
  17
  
  2C-T-2
  
  2c-t-2
  
  2C-T-2
  
  2C-T-2
  
  2C-T-2
  
  37.8%
  
  18
  
  rolicyclidine
  
  PCPy
  
  Rolicyclidine
  
  Rolicyclidine
  
  Rolicyclidine
  
  37.7%
  
  19
  
  4-AcO-DMT
  
  4-aco-dmt
  
  4-AcO-DMT
  
  4-AcO-DMT
  
  O-Acetylpsilocin
  
  37.7%
  
  20
  
  THC-O
  
  Δ9-THC acetate
  
  THC-O-acetate
  
  37.6%
  
  21
  
  Risperidone
  
  Risperidone
  
  Risperidone
  
  Risperidone
  
  Risperidone
  
  37.6%
  
  22
  
  JWH-073
  
  JWH-073
  
  1-Butyl-3-(1-naphtho...
  
  JWH-073
  
  37.6%
  
  23
  
  5F-AKB48
  
  5f-akb48
  
  5F-APINACA
  
  5F-AKB48
  
  5F-APINACA
  
  37.6%
  
  24
  
  Salvinorin B methoxy...
  
  Methoxymethyl salvin...
  
  Salvinorin B methoxy...
  
  Salvinorin B methoxy...
  
  37.6%
  
  25
  
  THJ-018
  
  THJ-018
  
  THJ-018
  
  37.6%
  
  26
  
  Sufentanil
  
  sufentanil
  
  Sufentanil
  
  Sufentanil
  
  Sufentanil
  
  Sufentanil
  
  Sufentanil
  
  37.6%
  
  27
  
  Benzydamine
  
  benzydamine
  
  Benzydamine
  
  Benzydamine
  
  Benzydamine
  
  Benzydamine
  
  37.5%
  
  28
  
  Diphenidine
  
  diphenidine
  
  Diphenidine
  
  Diphénidine
  
  Diphenidine
  
  37.2%
  
  29
  
  Naloxone
  
  3,14-Dihydroxy-17-(p...
  
  Naloxone
  
  Naloxone
  
  Naloxone
  
  37.2%
  
  30
  
  25B-NBOH
  
  25b-nboh
  
  25B-NBOH
  
  25B-NBOH
  
  25B-NBOH
  
  36.6%
- Binding affinities with a list of 34 predefined docking sites. Those affinities are used to compute the interactions similarities.
  
  AF-A5X5Y0
  
  AF-O95264
  
  AF-P08588
  
  AF-P08908
  
  AF-P13945
  
  AF-P18089
  
  AF-P21728
  
  AF-P21918
  
  AF-P25100
  
  AF-P28221
  
  AF-P28566
  
  AF-P46098
  
  AF-Q9Y2T6
  
  P08913_6KUX
  
  P14416_6CM4
  
  P18825_6KUW
  
  P21917_5WIU
  
  P28222_4IAR
  
  P28223_6WGT
  
  P28335_6BQH
  
  P35462_3PBL
  
  P41595_4IB4
Interaction of this molecule with metabolism ?

Trenbolone hexahydro...

Similarities

METRIFUDIL

Inosine

Fludarabine

Fludarabine

2-chloroadenosine

[3H]NECA

Adenosine Monotungst...

I-ABA

bromo-deaza-SAH

PMID27376512-Compoun...

1-Deaza-Adenosine

Isoguanosine

5'-Deoxy-5'-(N,N-dim...

S-tubercidinylhomocy...

BVT-115959

PMID28870136-Compoun...

PMID28870136-Compoun...

5'-Deoxy-5'-(Methylt...

Vidarabine

Adenosine

Adenosine

Adenosine

[125I]APNEA

[125I]APNEA

Methylthioadenosine

[(2-aminooxyethyl)me...

DS-437

2-(3''-pyrrolylethyl...

(L-)-S-adenosyl-L-ho...

5'-S-ethyl-5'-thioad...

5'-deoxy-5'-ureidoad...

5'-deoxy-5'-[(3-hydr...

SAM-e

Ademetionine

5'-Deoxy-5'-dimethyl...

S-Adenosyl methionin...

AMA

RTI-371

RTI-371

Nufenoxole

Nufenoxole

AM-087

AM-087

AM-4030

AM-4030

ADB-D-5Br-INACA

Brodifacoum

Brodifacoum

CBD-1,1-DMH

(+)-CBD-DMH

CBD-DMH

CUMYL-CHSINACA

Testosterone caproat...

AM-2389

AM-2389

RCS-8

RCS-8

CBD-1,2-DMH

L-759,633

L-759,633

L-759,633

JWH-182

O-1269

Amide derivative 1

O-1269

Testosterone isocapr...

Rosonabant

Rosonabant

Vanoxerine

Vanoxerine

Vanoxerine

SGT-4

CHM-081

N-Me-3-DESMETHYL

BODM

MM-GEA

6-Fluoro-AMT

6-Fluoro-AMT