SCHEMBL7470319

SCHEMBL7470319

O=C1c2ccc(Cl)cc2OC=C(Cl)N1CCCCN1CC=C(c2ncccn2)CC1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.50
HTR1A P08908 1/20 0.45
SIGMAR1 Q99720 2/20 0.42

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
SCHEMBL7467038 0.93 DRD2 (0.48) DRD2HTR1ASIGMAR1
SCHEMBL7472342 0.92 DRD2 (0.49) DRD2HTR1A
SCHEMBL3684227 0.91 DRD2 (0.49) DRD2HTR1A
SCHEMBL6170029 0.90 SIGMAR1 (0.52) DRD2HTR1ASIGMAR1
Hydrochloric Acid SCHEMBL3680042 0.90 DRD2 (0.51) DRD2HTR1A
SCHEMBL7469800 0.89 SIGMAR1 (0.43) DRD2HTR1ASIGMAR1
SCHEMBL7466512 0.85 DRD2 (0.37) DRD2HTR1A
SCHEMBL7466452 0.84 DRD2 (0.46) DRD2HTR1ASIGMAR1
SCHEMBL7465071 0.84 SIGMAR1 (0.43) DRD2SIGMAR1
SCHEMBL7464916 0.83 DRD2 (0.48) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925288-B1 PROCESS OF PRODUCTION OF 4-SUBSTITUTED-3-HALOGENO-1,4-BENZOXAZEPINE DERIVATIVE AND SALTS THEREOF SUNTORY LTD (JP) 2002-09-25 EP disclosed
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
US-6114522-A DEPROTONIZING A BEZOXAZEPINE DERIVATIVE WITH A BASE, REACTING THE DEPROTONIZED PRODUCT WITH A PHOSPHATE HALIDE TO PRODUCE AN INTERMEDIATE, REACTING INTERMEDIATE WITH A COMPLEX OF HALOGEN AND TRIALKYL OR ARYL PHOSPHINE SUNTORY LIMITED (JP) 2000-09-05 US disclosed
EP-0755930-A1 BENZOXAZEPINE DERIVATIVES, SALTS THEREOF, AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-01-29 EP disclosed