SCHEMBL9020108

SCHEMBL9020108

CN1C2CCC1CC(C(=O)c1ccccc1F)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
CHRNA7 P36544 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD11B1 P28845 1/20 0.43
CHRM3 P20309 4/20 0.43
CHRM2 P08172 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9429125 0.98 HTR3A (0.43) HTR3AHTR3EHTR3BCHRNA7HTR3D
SCHEMBL9020285 0.83 CHRM3 (0.39) HTR3AHTR3EHTR3BCHRNA7HTR3D
SCHEMBL8805634 0.82 MEN1 (0.46) HTR3AALDH1A1MEN1KMT2ACHRM3
SCHEMBL6661943 0.81 HSD11B1 (0.55) ALDH1A1KMT2AHSD11B1CHRM5MGLL
Hydrochloric Acid SCHEMBL9429828 0.81 MEN1 (0.46) HTR3AALDH1A1MEN1KMT2ACHRM3
Hydrochloric Acid SCHEMBL10395819 0.80 HSD11B1 (0.53) ALDH1A1KMT2AHSD11B1CHRM5MGLL
SCHEMBL9020198 0.79 CHRM3 (0.39) HTR3AHTR3EHTR3BCHRNA7HTR3D
SCHEMBL9020197 0.79 CHRM3 (0.39) HTR3AHTR3EHTR3BCHRNA7HTR3D
Hydrochloric Acid SCHEMBL9020373 0.78 CHRM3 (0.38) HTR3AHTR3EHTR3BCHRNA7HTR3D
Hydrochloric Acid SCHEMBL9020377 0.78 CHRM3 (0.38) HTR3AHTR3EHTR3BCHRNA7HTR3D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5340936-A Antipsychotic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-08-23 US claimed
EP-0498331-B1 N-(aryloxyalkyl)heteroaryl-8-azabicyclo(3.2.1)octanes, intermediates and a process for the preparation thereof and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-05-22 EP disclosed
US-5340936-A Antipsychotic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-08-23 US disclosed
US-5334599-A Heteroaryl-8-azabicyclo[3,2,1]octanes as antipsychotic agents, 5-HT3 receptor antagonists and inhibitors of the reuptake of serotonin HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-08-02 US disclosed
US-5234931-A Anxiolytic agents; antdepressants; schizophrenia; drug abuse; medical diagnosis HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-08-10 US disclosed
EP-0498331-A1 N-(aryloxyalkyl)heteroaryl-8-azabicyclo(3.2.1)octanes, intermediates and a process for the preparation thereof and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-08-12 EP disclosed