SCHEMBL7364615

SCHEMBL7364615

O=C(NC1CCN(Cc2ccccc2)CC1)c1cccn2ccnc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.64
POLB P06746 1/20 0.64
DRD4 P21917 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
SLC6A12 P48065 4/20 0.59
TMEM97 Q5BJF2 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
PRKAB2 O43741 1/20 0.57
PRKAG1 P54619 1/20 0.57
PRKAA2 P54646 1/20 0.57
PRKAA1 Q13131 1/20 0.57
PRKAG3 Q9UGI9 1/20 0.57
PRKAG2 Q9UGJ0 1/20 0.57

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
SCHEMBL6177672 0.80 HTR4 (0.54) POLBDRD4CYP3A4CYP2D6DRD2
SCHEMBL21900251 0.78 POLB (0.74) SIGMAR1POLBDRD4MEN1KMT2A
SCHEMBL3959130 0.78 SIGMAR1 (0.73) SIGMAR1POLBDRD4MEN1KMT2A
SCHEMBL7217989 0.78 SIGMAR1 (1.00) SIGMAR1POLBDRD4MEN1KMT2A
SCHEMBL6956820 0.78 SIGMAR1 (0.73) SIGMAR1POLBDRD4MEN1KMT2A
SCHEMBL16828026 0.78 KMT2A (0.79) SIGMAR1POLBDRD4MEN1KMT2A
SCHEMBL10107494 0.77 SLC6A12 (0.66) SIGMAR1POLBDRD4MEN1KMT2A
SCHEMBL7239441 0.77 CCR3 (0.72) SIGMAR1POLBDRD4MEN1KMT2A
SCHEMBL14214884 0.77 MEN1 (0.72) SIGMAR1POLBDRD4MEN1KMT2A
SCHEMBL9651278 0.76 POLB (0.61) SIGMAR1POLBDRD4MEN1KMT2A

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-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