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

Ferriseltz

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2

Iron(2+) nta

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3

Zinc(2+) NTA

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4

4-Hydroxy-Aconitate ...

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49.4%

5

Lead nitrilotriaceta...

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49.4%

6

Acetic acid, nitrilo...

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Copper nitrilotriace...

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49.4%

7

Nickel nitrilotriace...

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49.4%

8

Nickel nitrilotriace...

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49.4%

9

Mercury(2+) NTA

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49.4%

10

Cadmium nitrilotriac...

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Hydrogen (N,N-bis(ca...

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49.4%

11

(Hydrogen nitrilotri...

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49.4%

12

(R)-Mevalonate

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49.4%

13

Ranitidine bismuth c...

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49.4%

14

Trisodium nitrilotri...

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49.4%

15

Ferric nitrilotriace...

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49.4%

16

Aconitate Ion

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49.4%

17

Succinate

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49.3%

18

Cobalt succinate

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49.3%

19

Dithallium malonate

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49.3%

20

Calcium carbimide

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49.2%

21

Potassium citrate

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49.1%

22

Lithium citrate

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49.1%

23

Sodium Citrate

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SODIUM CITRATE

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49.1%

24

Disodium citrate

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Disodium hydrogen ci...

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49.0%

25

Citric acid, calcium...

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49.0%

26

Iron(2+) citrate

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48.9%

27

Magnesium citrate

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48.7%

28

Calcium citrate

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48.7%

29

Cobaltous citrate

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48.0%

30

1,2,3-Propanetricarb...

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0.0%
Similarities computed based on affinities of molecules with selected proteins docking site.
- 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
  
  focalin
  
  Dexmethylphenidate h...
  
  2
  
  brotizolam
  
  Brotizolam
  
  Brotizolam
  
  3
  
  25B-NBOH
  
  25b-nboh
  
  25B-NBOH
  
  25B-NBOH
  
  25B-NBOH
  
  4
  
  DOM
  
  dom
  
  DOM
  
  2,5-Dimethoxy-4-meth...
  
  DOM
  
  DOM
  
  2,5-Dimethoxy-4-meth...
  
  35.2%
  
  5
  
  NEP
  
  NEP
  
  N-Ethylpentedrone
  
  35.1%
  
  6
  
  ALD-52
  
  ald-52
  
  1-Acetyl-LSD
  
  ALD-52
  
  ALD-52
  
  35.1%
  
  7
  
  3-Me-PCP
  
  3-Me-PCP
  
  3-Methyl-PCP
  
  34.9%
  
  8
  
  2c-b-an
  
  33.9%
  
  9
  
  PRO-LAD
  
  pro-lad
  
  PRO-LAD
  
  PRO-LAD
  
  PRO-LAD
  
  30.8%
  
  10
  
  bk-ivp
  
  bk-IVP
  
  30.3%
  
  11
  
  Etazene
  
  etodesnitazene
  
  Etodesnitazene
  
  Etodesnitazene
  
  29.9%
  
  12
  
  Dextropropoxyphene
  
  propoxyphene
  
  dextropropoxyphene
  
  Propoxyphene
  
  Levopropoxyphene
  
  Propoxyphene
  
  Dextropropoxyphène
  
  Dextropropoxyphene
  
  Dextropropoxyphene
  
  Levopropoxyphene
  
  29.4%
  
  13
  
  1cP-MiPLA
  
  1cP-MIPLA
  
  26.7%
  
  14
  
  1P-LSD
  
  1p-lsd
  
  1P-LSD
  
  1P-LSD
  
  1P-LSD
  
  26.7%
  
  15
  
  Sufentanil
  
  sufentanil
  
  Sufentanil
  
  Sufentanil
  
  Sufentanil
  
  Sufentanil
  
  Sufentanil
  
  26.3%
  
  16
  
  5F-PB-22
  
  5f-pb-22
  
  5F-PB-22
  
  5F-PB-22
  
  5F-PB-22
  
  26.1%
  
  17
  
  JWH-018
  
  JWH-018
  
  1-Pentyl-3-(1-naphth...
  
  JWH-018
  
  25.6%
  
  18
  
  THJ-2201
  
  THJ-2201
  
  THJ-2201
  
  25.4%
  
  19
  
  Salvinorin A
  
  Salvinorin A
  
  Salvinorin A
  
  Salvinorin A
  
  Salvinorin A
  
  25.1%
  
  20
  
  JWH-073
  
  JWH-073
  
  1-Butyl-3-(1-naphtho...
  
  JWH-073
  
  24.8%
  
  21
  
  THC-O
  
  Δ9-THC acetate
  
  THC-O-acetate
  
  24.8%
  
  22
  
  Salvinorin B methoxy...
  
  Methoxymethyl salvin...
  
  Salvinorin B methoxy...
  
  Salvinorin B methoxy...
  
  24.8%
  
  23
  
  5F-AKB48
  
  5f-akb48
  
  5F-APINACA
  
  5F-AKB48
  
  5F-APINACA
  
  24.8%
  
  24
  
  Risperidone
  
  Risperidone
  
  Risperidone
  
  Risperidone
  
  Risperidone
  
  24.8%
  
  25
  
  THJ-018
  
  THJ-018
  
  THJ-018
  
  24.8%
  
  26
  
  4-AcO-DMT
  
  4-aco-dmt
  
  4-AcO-DMT
  
  4-AcO-DMT
  
  O-Acetylpsilocin
  
  24.6%
  
  27
  
  rolicyclidine
  
  PCPy
  
  Rolicyclidine
  
  Rolicyclidine
  
  Rolicyclidine
  
  24.0%
  
  28
  
  Benzydamine
  
  benzydamine
  
  Benzydamine
  
  Benzydamine
  
  Benzydamine
  
  Benzydamine
  
  23.8%
  
  29
  
  Naloxone
  
  3,14-Dihydroxy-17-(p...
  
  Naloxone
  
  Naloxone
  
  Naloxone
  
  23.4%
  
  30
  
  Diphenidine
  
  diphenidine
  
  Diphenidine
  
  Diphénidine
  
  Diphenidine
  
  23.4%
Interaction of this molecule with metabolism ?

Reactions that metabolize this molecule

Hydroxylation of non-terminal aliphatic carbon adjacent to aromatic ring

Product:

InChI=1S/C19H21N3O2/...

Enzymes: CYP1A2, CYP2C8, CYP2C9, CYP2D6, CYP3A4

Aliphatic hydroxylation of methyl carbon adjacent to aromatic ring

Product:

InChI=1S/C19H21N3O2/...

Enzymes: CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP2E1, CYP3A4

Aliphatic hydroxylation of methyl carbon adjacent to aromatic ring

Product:

InChI=1S/C19H21N3O2/...

Enzymes: CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP2E1, CYP3A4

Hydroxylation of terminal methyl

Product:

InChI=1S/C19H21N3O2/...

Enzymes: CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP2E1, CYP3A4

Reactions that metabolism produce from this molecule

Hydroxylation of non-terminal aliphatic carbon adjacent to aromatic ring

Product:

InChI=1S/C19H21N3O2/...

Enzymes: CYP1A2, CYP2C8, CYP2C9, CYP2D6, CYP3A4

Aliphatic hydroxylation of methyl carbon adjacent to aromatic ring

Product:

InChI=1S/C19H21N3O2/...

Enzymes: CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP2E1, CYP3A4

Aliphatic hydroxylation of methyl carbon adjacent to aromatic ring

Product:

InChI=1S/C19H21N3O2/...

Enzymes: CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP2E1, CYP3A4

Hydroxylation of terminal methyl

Product:

InChI=1S/C19H21N3O2/...

Enzymes: CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP2E1, CYP3A4

N-Ethyl-zolpidem

Similarities

Ferriseltz

Iron(2+) nta

Zinc(2+) NTA

4-Hydroxy-Aconitate ...

Lead nitrilotriaceta...

Acetic acid, nitrilo...

Copper nitrilotriace...

Nickel nitrilotriace...

Nickel nitrilotriace...

Mercury(2+) NTA

Cadmium nitrilotriac...

Hydrogen (N,N-bis(ca...

(Hydrogen nitrilotri...

(R)-Mevalonate

Ranitidine bismuth c...

Trisodium nitrilotri...

Ferric nitrilotriace...

Aconitate Ion

Succinate

Cobalt succinate

Dithallium malonate

Calcium carbimide

Potassium citrate

Lithium citrate

Sodium Citrate

SODIUM CITRATE

Disodium citrate

Disodium hydrogen ci...

Citric acid, calcium...

Iron(2+) citrate

Magnesium citrate

Calcium citrate

Cobaltous citrate

1,2,3-Propanetricarb...

focalin

Dexmethylphenidate h...

brotizolam

Brotizolam

Brotizolam

25B-NBOH

25b-nboh

25B-NBOH

25B-NBOH

25B-NBOH

DOM

dom

DOM

2,5-Dimethoxy-4-meth...

DOM

DOM

2,5-Dimethoxy-4-meth...

NEP

NEP

N-Ethylpentedrone

ALD-52

ald-52

1-Acetyl-LSD

ALD-52

ALD-52

3-Me-PCP

3-Me-PCP

3-Methyl-PCP

2c-b-an

PRO-LAD

pro-lad

PRO-LAD

PRO-LAD

PRO-LAD

bk-ivp

bk-IVP

Etazene

etodesnitazene

Etodesnitazene

Etodesnitazene

Dextropropoxyphene

propoxyphene

dextropropoxyphene

Propoxyphene