SCHEMBL7469800

SCHEMBL7469800

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

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
DRD2 P14416 2/20 0.41
HTR6 P50406 1/20 0.41
HTR1A P08908 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
SCHEMBL7465071 0.93 SIGMAR1 (0.43) SIGMAR1DRD2HTR6
SCHEMBL7464077 0.92 DRD2 (0.42) SIGMAR1DRD2HTR6HTR1A
SCHEMBL7467271 0.91 SIGMAR1 (0.48) SIGMAR1DRD2HTR1A
SCHEMBL7472342 0.90 DRD2 (0.49) DRD2HTR1A
SCHEMBL7473226 0.90 HTR6 (0.40) SIGMAR1DRD2HTR6HTR1A
SCHEMBL7470319 0.89 DRD2 (0.50) SIGMAR1DRD2HTR1A
SCHEMBL3684227 0.87 DRD2 (0.49) DRD2HTR6HTR1A
SCHEMBL7477323 0.87
SCHEMBL7472345 0.86 PARP1 (0.41) SIGMAR1DRD2
Hydrochloric Acid SCHEMBL3680042 0.86 DRD2 (0.51) 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 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