SCHEMBL7472345

SCHEMBL7472345

COc1ccc2c(c1)OC=C(Cl)N(CCCCN1CC=C(c3cccc(Cl)n3)CC1)C2=O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.41
DRD2 P14416 3/20 0.40
SIGMAR1 Q99720 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 0.89 SIGMAR1 (0.48) DRD2SIGMAR1
SCHEMBL7462465 0.88 DRD2 (0.47) DRD2
SCHEMBL7476391 0.87 PARP1 (0.40) PARP1SIGMAR1
SCHEMBL7469800 0.86 SIGMAR1 (0.43) DRD2SIGMAR1
SCHEMBL7471322 0.85 DRD2 (0.45) DRD2
SCHEMBL7466404 0.85 DRD2 (0.46) DRD2
SCHEMBL7471090 0.84 DRD2 (0.43) PARP1DRD2
SCHEMBL7470829 0.82 SIGMAR1 (0.48) DRD2SIGMAR1
SCHEMBL7476306 0.81 HTR1A (0.42) DRD2
SCHEMBL7464323 0.81 DRD2 (0.47) DRD2

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