SCHEMBL7476831

SCHEMBL7476831

COc1ccc2c(c1)C(=O)N(CCCCN1CCN(c3ncccn3)CC1)C(CCl)=CO2

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.52
DRD2 P14416 3/20 0.47
HTR7 P34969 3/20 0.45
HTR2A P28223 2/20 0.45
HTR6 P50406 2/20 0.45

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
SCHEMBL7463440 0.93 HTR1A (0.52) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7471835 0.89 HTR1A (0.54) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7467381 0.86 HTR1A (0.40) HTR1A
SCHEMBL7473068 0.86 HTR1A (0.47) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7467334 0.85 HTR1A (0.65) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7461660 0.84 HTR1A (0.52) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7473267 0.84 DRD2 (0.48) HTR1ADRD2
SCHEMBL7470672 0.83 HTR1A (0.54) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7469852 0.82 HTR1A (0.55) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL9375687 0.82 HTR1A (0.55) HTR1ADRD2HTR7HTR2AHTR6

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