SCHEMBL7361204

SCHEMBL7361204

O=C(NC1CCN2CCCC1C2)c1cccn2ccnc12

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.55
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 0.48

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
SCHEMBL7362191 0.86 HTR3A (0.67) HTR3A
SCHEMBL7360573 0.82 HTR3A (0.77) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7441918 0.77 HTR3E (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7276197 0.73 HTR3E (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7279707 0.73 HTR3E (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8293116 0.72 HTR3E (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7364615 0.70 SIGMAR1 (0.64)
SCHEMBL20330342 0.69 TP53 (0.43)
SCHEMBL18038264 0.69 P2RX7 (0.49)
SCHEMBL7279745 0.69 HTR3A (0.47) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434161-A FOR TREATING ANXIETY, PSYCHOSES, DEPRESSION OR GASTROINTESTINAL MOTILITY G. D. SEARLE & CO. (US) 1995-07-18 US claimed
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