SCHEMBL7467230

SCHEMBL7467230

COCC1=COc2ccc(OC)cc2C(=O)N1CCCCN1CC=C(c2cncc(OC)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
HTR1A P08908 5/20 0.34
PARP1 P09874 2/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL7467448 0.87 SIGMAR1 (0.37) SIGMAR1HTR1APARP1DRD2
SCHEMBL7473205 0.81 DRD2 (0.43) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7461525 0.80 HTR2A (0.30) HTR2A
SCHEMBL7469351 0.80 DRD2 (0.42) HTR1APARP1DRD2HTR2AHTR7
SCHEMBL7473226 0.78 HTR6 (0.40) SIGMAR1HTR1APARP1DRD2HTR6
SCHEMBL7466647 0.78 SIGMAR1 (0.44) SIGMAR1HTR1A
SCHEMBL7472020 0.76 DRD2 (0.43) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7471385 0.76 DRD2 (0.44) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7472488 0.75 DRD2 (0.42) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7470829 0.75 SIGMAR1 (0.48) SIGMAR1DRD2

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