SCHEMBL7401541

SCHEMBL7401541

COc1cc(N)c(Cl)cc1C(=O)NCC12CCCN1CCC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.67
HTR3B O95264 3/20 0.67
HTR3A P46098 3/20 0.67
HTR3D Q70Z44 3/20 0.67
HTR3C Q8WXA8 3/20 0.67
HTR4 Q13639 7/20 0.61
DRD2 P14416 2/20 0.56
SLC22A1 O15245 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MPO P05164 1/20 0.53
CYP1A2 P05177 1/20 0.53
ADRA2A P08913 1/20 0.53
CYP2D6 P10635 1/20 0.53
ADRA2C P18825 1/20 0.53
DRD4 P21917 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
DRD3 P35462 1/20 0.53
HTR2B P41595 1/20 0.53

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
SCHEMBL27003054 0.92 HTR3E (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27003043 0.91 HCN4 (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27003068 0.90 HCN4 (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27003060 0.90 HTR3E (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7397550 0.89 HTR4 (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27003056 0.89 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9474371 0.83 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10719821 0.82 HTR3E (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9458342 0.81 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16233228 0.80 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5612366-A USEFUL IN TREATMENT OF CENTRAL NERVOUS SYSTEM AND GASTROINTESTINAL MOTILITY DISORDERS G. D. SEARLE & CO. (US) 1997-03-18 US disclosed
US-5516782-A FOR TREATMENT OF ANXIETY, PSYCHOSES, DEPRESSION OR GASTROINTESTINAL MOTILITY DISTURBANCES G. D. SEARLE & CO. (US) 1996-05-14 US disclosed
US-5318977-A New meso-azacyclic aromatic acid amides and esters as novel serotonergic agents G. D. SEARLE & CO. (US) 1994-06-07 US disclosed
EP-0504680-A1 New meso-azacyclic aromatic acid amides and esters as novel serotonergic agents G.D. Searle & Co. (US) 1992-09-23 EP disclosed
WO-1992015590-A1 NEW MESO-AZACYCLIC AROMATIC ACID AMIDES AND ESTERS AS NOVEL SEROTONERGIC AGENTS G.D. SEARLE & CO. (US) 1992-09-17 WO disclosed