SCHEMBL7360573

SCHEMBL7360573

O=C(NC1CCN2CCCC1C2)c1cc(Cl)cn2ccnc12

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.77
HTR3E A5X5Y0 3/20 0.55
HTR3B O95264 3/20 0.55
HTR3D Q70Z44 3/20 0.55
HTR3C Q8WXA8 3/20 0.55
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRNA7 P36544 1/20 0.41

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
SCHEMBL7362682 0.87 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL7363031 0.86 HTR3A (0.98) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7361204 0.82 HTR3A (0.55) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL1761694 0.76 HTR3A (0.62) HTR3AALDH1A1
SCHEMBL7367774 0.73 HTR3A (0.56) HTR3A
SCHEMBL7386037 0.73 HTR3A (0.59) HTR3ACYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL7364182 0.72 HTR3A (0.55) HTR3A
SCHEMBL5055931 0.71 CHRNA7 (0.70) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7360723 0.70 HTR3A (0.58) HTR3A
Renzapride SCHEMBL1650356 0.70 HTR3A (0.96) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530353-A1 NEW IMIDAZOPYRIDINES AS SEROTONERGIC 5-HT 3? ANTAGONISTS G.D. SEARLE & CO. (US) 1993-03-10 EP claimed
EP-0504679-A1 New imidazopyridines as serotonergic 5-HT3 antagonists G.D. Searle & Co. (US) 1992-09-23 EP claimed
WO-1992015593-A1 NEW IMIDAZOPYRIDINES AS SEROTONERGIC 5-HT3 ANTAGONISTS G.D. SEARLE & CO. (US) 1992-09-17 WO claimed
US-5604239-A GASTROINTESTINAL AND PSYCHOLOGICAL DISORDERS G. D. SEARLE & CO. (US) 1997-02-18 US disclosed
US-5591749-A ANXIOLYTIC AND ANTIDEPRESSANT AGENTS; GASTROINTESTINAL AND PSYCHOLOGICAL DISORDERS G. D. SEARLE & CO. (US) 1997-01-07 US disclosed
US-5434161-A FOR TREATING ANXIETY, PSYCHOSES, DEPRESSION OR GASTROINTESTINAL MOTILITY G. D. SEARLE & CO. (US) 1995-07-18 US disclosed
EP-0530353-A1 NEW IMIDAZOPYRIDINES AS SEROTONERGIC 5-HT 3? ANTAGONISTS G.D. SEARLE & CO. (US) 1993-03-10 EP disclosed
EP-0504679-A1 New imidazopyridines as serotonergic 5-HT3 antagonists G.D. Searle & Co. (US) 1992-09-23 EP disclosed
WO-1992015593-A1 NEW IMIDAZOPYRIDINES AS SEROTONERGIC 5-HT3 ANTAGONISTS G.D. SEARLE & CO. (US) 1992-09-17 WO disclosed