SCHEMBL7472828

SCHEMBL7472828

CC1=COc2ccc(F)cc2C(=O)N1CCCCN1CCCC(c2ncccn2)C1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.37
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
HTR7 P34969 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL7473438 0.91 MEN1 (0.37) HTR1AHTR7HRH1DRD3HTR2B
SCHEMBL7475072 0.90 DRD2 (0.42) HTR1A
SCHEMBL7476895 0.86 DRD3 (0.37) HTR1AHTR7HRH1DRD3HTR2B
SCHEMBL7466746 0.83 MEN1 (0.37) HTR1AHTR7HRH1DRD3HTR2B
SCHEMBL7473618 0.83 DRD2 (0.42) DRD3
SCHEMBL7476756 0.81 HTR1A (0.56) HTR1AHTR7DRD3
SCHEMBL7467437 0.81 CCNT1 (0.35) HTR1ACCNT1CDK9DRD3
SCHEMBL7472431 0.80 HTR7 (0.52) HTR1AHTR7HRH1DRD3
SCHEMBL7472209 0.80 HTR1A (0.41) HTR1A
SCHEMBL7471009 0.79 DRD4 (0.41) HTR1ADRD3

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