SCHEMBL7472012

SCHEMBL7472012

COCC1=COc2ccc(Cl)cc2C(=O)N1CCCCN1CC=C(c2ncnc3ccccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.42
HTR1A P08908 1/20 0.38
PARP1 P09874 3/20 0.37
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL7472020 0.82 DRD2 (0.43) DRD2HTR1A
SCHEMBL7476732 0.79 DRD2 (0.35) DRD2
SCHEMBL7471254 0.78 DRD2 (0.42) DRD2HTR1APARP1
SCHEMBL7471385 0.78 DRD2 (0.44) DRD2HTR1A
SCHEMBL7471090 0.77 DRD2 (0.43) DRD2HTR1APARP1
SCHEMBL7478658 0.77 HRH4 (0.40) DRD2HTR1A
SCHEMBL7472488 0.76 DRD2 (0.42) DRD2HTR1A
SCHEMBL7466452 0.76 DRD2 (0.46) DRD2HTR1APARP1SIGMAR1
SCHEMBL7469040 0.75 DRD4 (0.50) DRD2HTR1A
SCHEMBL7472109 0.74 DRD2 (0.46) DRD2HTR1ASIGMAR1

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