SCHEMBL7477282

SCHEMBL7477282

Cc1ccc2c(c1)OC=C(CCl)N(CCCCN1CCC(c3c[nH]cn3)CC1)C2=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.34
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL7462546 0.83 MAOB (0.35) DRD2HTR1AHTR2A
SCHEMBL7477277 0.81 DRD2 (0.36) DRD2HTR1AHTR2A
SCHEMBL7463338 0.80 DRD4 (0.46) DRD2ADRA1DADRA1AADRA1BDRD4
SCHEMBL7470708 0.78 DRD4 (0.40) DRD2ADRA1DADRA1AADRA1BDRD4
SCHEMBL7470711 0.77 KCNH2 (0.51) DRD2ADRA1DADRA1AADRA1BDRD4
SCHEMBL7477244 0.76 HTR1A (0.39) DRD2HTR1AHTR2A
SCHEMBL7473431 0.76 HTR1A (0.41) DRD2HTR1AHTR2A
SCHEMBL7473722 0.76 HTR1A (0.39) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL7473410 0.76 DRD2 (0.36) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL7471767 0.76 HTR1A (0.39) DRD2DRD4DRD3HTR1AHTR2A

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