SCHEMBL7476895

SCHEMBL7476895

CC1=COc2cc(C)ccc2C(=O)N1CCCCN1CCCC(c2ncccn2)C1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.37
HTR7 P34969 2/20 0.37
HTR1A P08908 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
HRH3 Q9Y5N1 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 0.93 MEN1 (0.37) DRD3HTR7HTR1AHRH1HTR2B
SCHEMBL7463900 0.92 DRD3 (0.36) DRD3HTR7HTR1AHRH1HTR2B
SCHEMBL7469636 0.90 HTR1A (0.39) DRD3HTR1ADRD2DRD4
SCHEMBL7472828 0.86 HTR1A (0.37) DRD3HTR7HTR1AHRH1HTR2B
SCHEMBL7466746 0.85 MEN1 (0.37) DRD3HTR7HTR1AHRH1HTR2B
SCHEMBL7471767 0.82 HTR1A (0.39) DRD3HTR1ADRD2DRD4
SCHEMBL7470708 0.81 DRD4 (0.40) DRD3HTR7HTR1AHRH1HTR2B
SCHEMBL7471893 0.81 HTR1A (0.43) DRD3HTR7HTR1AHRH1HTR2B
SCHEMBL7476277 0.80 THRB (0.38) DRD3HTR7HTR1AHRH1HTR2B
SCHEMBL7471674 0.80 HTR1A (0.41) HTR7HTR1ADRD2

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