SCHEMBL7471898

SCHEMBL7471898

CC1=COc2cc(Cl)ccc2C(=O)N1CCCCN1CCN(c2ncc(F)c(N)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.44
DRD2 P14416 4/20 0.38
HTR2A P28223 4/20 0.38
HTR7 P34969 3/20 0.36
HTR6 P50406 2/20 0.36
DRD4 P21917 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL7476508 0.87 HTR1A (0.45) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7475669 0.84 HTR1A (0.42) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7473568 0.84 HTR1A (0.56) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7470427 0.82 ADORA2A (0.35)
SCHEMBL7471195 0.79 HTR1A (0.42) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7469706 0.79 DRD2 (0.34) HTR1ADRD2HTR2A
SCHEMBL7469317 0.78 HTR1A (0.56) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7468337 0.75 HTR1A (0.59) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7477136 0.74 HTR1A (0.41) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7473384 0.74 HTR1A (0.38) 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