SCHEMBL7469328

SCHEMBL7469328

COc1ccc2c(c1)OC=C(CCl)N(CCCCN1CCCC(c3ncc(F)c(N)n3)C1)C2=O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.37
ADORA2A P29274 2/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
KDM2B Q8NHM5 1/20 0.33

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
SCHEMBL7470427 0.82 ADORA2A (0.35) ADORA2A
SCHEMBL7473788 0.78 HTR1A (0.40) HTR1A
SCHEMBL7465146 0.77 DRD2 (0.37)
SCHEMBL7473431 0.75 HTR1A (0.41) HTR1A
SCHEMBL7476277 0.75 THRB (0.38) HTR1A
SCHEMBL7471492 0.75 HTR1A (0.37) HTR1A
SCHEMBL7473425 0.74 HTR1A (0.40) HTR1A
SCHEMBL7469345 0.74 DRD2 (0.33) HTR1A
SCHEMBL7475669 0.74 HTR1A (0.42) HTR1A
SCHEMBL7469706 0.73 DRD2 (0.34) HTR1A

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