SCHEMBL7470829

SCHEMBL7470829

COc1ccc2c(c1)C(=O)N(CCCCN1CC=C(c3ccccn3)CC1)C(Cl)=CO2

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.48
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
DRD2 P14416 1/20 0.40

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
SCHEMBL7467271 0.94 SIGMAR1 (0.48) SIGMAR1PPARGPPARADRD2
SCHEMBL7465220 0.92 SIGMAR1 (0.46) SIGMAR1PPARGPPARADRD2
SCHEMBL7466647 0.92 SIGMAR1 (0.44) SIGMAR1PPARGPPARA
SCHEMBL7465071 0.91 SIGMAR1 (0.43) SIGMAR1PPARGPPARADRD2
Piclozotan SCHEMBL29379540 0.88 SIGMAR1 (0.54) SIGMAR1DRD2
Piclozotan SCHEMBL562627 0.88 SIGMAR1 (0.54) SIGMAR1DRD2
Piclozotan SCHEMBL30249060 0.88 SIGMAR1 (0.54) SIGMAR1DRD2
SCHEMBL7470697 0.88 SIGMAR1 (0.50) SIGMAR1DRD2
SCHEMBL7471246 0.88 SIGMAR1 (0.53) SIGMAR1DRD2
Piclozotan SCHEMBL3675097 0.87 SIGMAR1 (0.52) SIGMAR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755930-B1 BENZOXAZEPINE DERIVATIVES, SALTS THEREOF, AND DRUGS CONTAINING THE SAME SUNTORY LTD (JP) 2002-07-31 EP disclosed
US-6337397-B1 A BENZOXAZEPINE DERIVATIVE FOR TREATMENT OF ANXIETY NEUROSIS, PHOBIAS, OBSESSIVE-COMPULSIVE DISORDERS, SCHIZOPHRENIA, POST-CARDIAC TRAUMA STRESS DISORDERS, DEPRESSION DISORDERS, PSYCHOSOMATIC DISORDERS AND OTHER PSYCHONEUROTIC DISORDERS, SUNTORY LIMITED (JP) 2002-01-08 US disclosed
US-6187769-B1 Benzoxazepine derivatives and their salts and medicaments containing the same SUNTORY LIMITED (JP) 2001-02-13 US disclosed
EP-0755930-A1 BENZOXAZEPINE DERIVATIVES, SALTS THEREOF, AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-01-29 EP disclosed