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

  

  2-MeO-N,α,3-Me-PEA

  

  2

  

  N-Me-ALEPH

  

  3

  

  4C-I

  

  4

  

  2,5-INCPMA

  49.1%

  ---

  5

  

  3-MeO-N,α,4-Me-PEA

  49.1%

  ---

  6

  

  4-MeO-N,α,3-Me-PEA

  49.1%

  ---

  7

  

  2-MeO-N,α,4-Me-PEA

  49.1%

  ---

  8

  

  2-I-3,5-DMA

  49.0%

  ---

  9

  

  3-I-2,6-DMA

  49.0%

  ---

  10

  

  4C-2,3-DMPEA

  49.0%

  ---

  11

  

  DOI-NBOMe

  49.0%

  ---

  12

  

  DOI

  

  doi

  

  DOI

  

  DOI

  

  (R)-1-(4-iodo-2,5-di...

  

  2,5-Dimethoxy-4-iodo...

  49.0%

  ---

  13

  

  META-DOI

  49.0%

  ---

  14

  

  N-Me-3,5-DMA

  49.0%

  ---

  15

  

  METHYL-TMA-6

  49.0%

  ---

  16

  

  2,5-INMeOEtA

  49.0%

  ---

  17

  

  N-Me-TMA-3

  49.0%

  ---

  18

  

  N-Me-2,6-DMA

  49.0%

  ---

  19

  

  METHYL-TMA

  49.0%

  ---

  20

  

  METHYL-TMA-2

  49.0%

  ---

  21

  

  DMMA

  

  Methyl-DMA

  49.0%

  ---

  22

  

  2,4-DMMA

  49.0%

  ---

  23

  

  N-Me-2,3-DMA

  49.0%

  ---

  24

  

  3,4-DiMeO-MA

  

  Dimethoxymethampheta...

  49.0%

  ---

  25

  

  METHYL-DOB

  

  Methyl-DOB

  48.9%

  ---

  26

  

  BEATRICE

  

  Beatrice (psychedeli...

  48.9%

  ---

  27

  

  2,5-INAA

  48.9%

  ---

  28

  

  2,5-INHA

  48.9%

  ---

  29

  

  2,5-INiPrA

  48.9%

  ---

  30

  

  N-Methyl DOI

  0.0%

  ---

• Similarities computed based on affinities of molecules with selected proteins docking site.
  Similar affinitiesLess addictive similar moleculesLess addictive similar molecules bisAffinities Profile
  • 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

    

    MiPLA

    

    MIPLA

    

    Methylisopropyllyser...

    

    2

    

    Buprenorphine

    

    buprenorphine

    

    (18R)-17-(Cyclopropy...

    

    Buprénorphine

    

    Buprenorphine

    

    Buprenorphine

    

    3

    

    JWH-018

    

    JWH-018

    

    1-Pentyl-3-(1-naphth...

    

    JWH-018

    

    4

    

    Salvinorin A

    

    Salvinorin A

    

    Salvinorin A

    

    Salvinorin A

    

    Salvinorin A

    40.1%

    ---

    5

    

    25H-NBOMe

    

    25h-nbome

    

    25H-NBOMe

    

    25H-NBOMe

    40.0%

    ---

    6

    

    Risperidone

    

    Risperidone

    

    Risperidone

    

    Risperidone

    

    Risperidone

    39.9%

    ---

    7

    

    THJ-018

    

    THJ-018

    

    THJ-018

    39.9%

    ---

    8

    

    5F-AKB48

    

    5f-akb48

    

    5F-APINACA

    

    5F-AKB48

    

    5F-APINACA

    39.9%

    ---

    9

    

    Salvinorin B methoxy...

    

    Methoxymethyl salvin...

    

    Salvinorin B methoxy...

    

    Salvinorin B methoxy...

    39.9%

    ---

    10

    

    JWH-073

    

    JWH-073

    

    1-Butyl-3-(1-naphtho...

    

    JWH-073

    39.9%

    ---

    11

    

    THC-O

    

    Δ9-THC acetate

    

    THC-O-acetate

    39.9%

    ---

    12

    

    bzp

    

    BZP

    

    Benzylpiperazine

    39.9%

    ---

    13

    

    4-AcO-DMT

    

    4-aco-dmt

    

    4-AcO-DMT

    

    4-AcO-DMT

    

    O-Acetylpsilocin

    39.9%

    ---

    14

    

    Cinolazepam

    

    cinolazepam

    

    Cinolazepam

    

    Cinolazepam

    

    Cinolazepam

    39.8%

    ---

    15

    

    25B-NBOH

    

    25b-nboh

    

    25B-NBOH

    

    25B-NBOH

    

    25B-NBOH

    39.8%

    ---

    16

    

    THJ-2201

    

    THJ-2201

    

    THJ-2201

    39.8%

    ---

    17

    

    4-fea

    

    4-FEA

    39.8%

    ---

    18

    

    allobarbital

    

    Allobarbital

    

    Allobarbital

    39.7%

    ---

    19

    

    Pregabalin

    

    pregabalin

    

    Pregabalin

    

    Pregabalin

    

    Prégabaline

    

    Pregabalin

    

    Pregabalin

    39.6%

    ---

    20

    

    Alpha-GPC

    

    Choline alfoscerate

    

    Glycerophosphorylcho...

    39.4%

    ---

    21

    

    ethketamine

    

    Ethketamine

    

    N-Ethylnorketamine

    39.3%

    ---

    22

    

    brotizolam

    

    Brotizolam

    

    Brotizolam

    39.2%

    ---

    23

    

    2C-T-2

    

    2c-t-2

    

    2C-T-2

    

    2C-T-2

    

    2C-T-2

    38.9%

    ---

    24

    

    ALD-52

    

    ald-52

    

    1-Acetyl-LSD

    

    ALD-52

    

    ALD-52

    38.7%

    ---

    25

    

    Benzydamine

    

    benzydamine

    

    Benzydamine

    

    Benzydamine

    

    Benzydamine

    

    Benzydamine

    38.1%

    ---

    26

    

    3-Me-PCP

    

    3-Me-PCP

    

    3-Methyl-PCP

    38.1%

    ---

    27

    

    Naloxone

    

    3,14-Dihydroxy-17-(p...

    

    Naloxone

    

    Naloxone

    

    Naloxone

    38.0%

    ---

    28

    

    Diphenidine

    

    diphenidine

    

    Diphenidine

    

    Diphénidine

    

    Diphenidine

    38.0%

    ---

    29

    

    rolicyclidine

    

    PCPy

    

    Rolicyclidine

    

    Rolicyclidine

    

    Rolicyclidine

    38.0%

    ---

    30

    

    2-Aminoindane

    

    2-ai

    

    2-AI

    

    2-Aminoindane

    37.6%

    ---

• Interaction of this molecule with metabolism ?
  Reactions that metabolize this molecule

  O-Hydroxylation of monosubstituted benzene

  Product:

  InChI=1S/C11H12N2O3/...

  Enzymes: CYP1A2, CYP2C8, CYP2C9, CYP2C19, CYP3A4

  Hydroxylation of benzene on carbon para to electron donating group

  Product:

  InChI=1S/C11H12N2O3/...

  Enzymes: CYP1A2, CYP2C8, CYP2C9, CYP2D6, CYP3A4

  Hydroxylation of terminal methyl

  Product:

  InChI=1S/C11H12N2O3/...

  Enzymes: CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP2E1, CYP3A4
  Reactions that metabolism produce from this molecule

  O-Hydroxylation of monosubstituted benzene

  Product:

  InChI=1S/C11H12N2O3/...

  Enzymes: CYP1A2, CYP2C8, CYP2C9, CYP2C19, CYP3A4

  Hydroxylation of benzene on carbon para to electron donating group

  Product:

  InChI=1S/C11H12N2O3/...

  Enzymes: CYP1A2, CYP2C8, CYP2C9, CYP2D6, CYP3A4

  Hydroxylation of terminal methyl

  Product:

  InChI=1S/C11H12N2O3/...

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