SCHEMBL7473068

SCHEMBL7473068

COc1ccc2c(c1)C(=O)N(CCCCN1CCN(c3cccc(Cl)n3)CC1)C(CCl)=CO2

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.47
DRD2 P14416 5/20 0.46
HTR2A P28223 4/20 0.46
HTR6 P50406 4/20 0.46
HTR7 P34969 3/20 0.46
DRD3 P35462 1/20 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
SCHEMBL7477530 0.90 HTR1A (0.48) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL7476831 0.86 HTR1A (0.52) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL7477005 0.84 HTR1A (0.41) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL7471492 0.83 HTR1A (0.37) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL7470461 0.79 HTR1A (0.39) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL7467381 0.79 HTR1A (0.40) HTR1A
SCHEMBL7463440 0.79 HTR1A (0.52) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL7465563 0.78 HTR1A (0.42) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL7477470 0.78 HTR1A (0.52) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL7473267 0.77 DRD2 (0.48) HTR1ADRD2DRD3

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