SCHEMBL7464077

SCHEMBL7464077

COc1ccc2c(c1)OC=C(C)N(CCCCN1CC=C(c3ncccn3)CC1)C2=O

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.42
HTR6 P50406 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HTR1A P08908 1/20 0.40
PARP1 P09874 1/20 0.39

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
SCHEMBL7469800 0.92 SIGMAR1 (0.43) DRD2HTR6SIGMAR1HTR1A
SCHEMBL7473226 0.90 HTR6 (0.40) DRD2HTR6SIGMAR1HTR1APARP1
SCHEMBL7475991 0.87 DRD2 (0.48) DRD2HTR6HTR1A
SCHEMBL7476677 0.87 HTR1A (0.38) HTR1A
SCHEMBL7471257 0.86 DRD2 (0.43) DRD2HTR6HTR1A
SCHEMBL7471254 0.85 DRD2 (0.42) DRD2HTR1APARP1
SCHEMBL7465071 0.85 SIGMAR1 (0.43) DRD2HTR6SIGMAR1
SCHEMBL7465220 0.85 SIGMAR1 (0.46) DRD2SIGMAR1HTR1A
SCHEMBL7472531 0.84 SIGMAR1 (0.42) HTR6SIGMAR1HTR1APARP1
SCHEMBL7477271 0.83 DRD2 (0.40) DRD2HTR6HTR1A

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