SCHEMBL7473568

SCHEMBL7473568

CC1=COc2cc(Cl)ccc2C(=O)N1CCCCN1CCN(c2ncccn2)CC1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.56
DRD2 P14416 3/20 0.48
HTR2A P28223 3/20 0.48
HTR7 P34969 2/20 0.48
HTR6 P50406 1/20 0.48
DRD4 P21917 1/20 0.45
HTR2C P28335 1/20 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
SCHEMBL7468337 0.91 HTR1A (0.59) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7469852 0.88 HTR1A (0.55) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7467468 0.87 HTR1A (0.68) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7477362 0.87 HTR1A (0.54) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7469317 0.87 HTR1A (0.56) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7464604 0.84 HTR1A (0.57) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7471898 0.84 HTR1A (0.44) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7463415 0.83 HTR1A (0.59) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7476756 0.83 HTR1A (0.56) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9375582 0.83 HTR1A (0.58) HTR1ADRD2HTR2AHTR7HTR6

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