SCHEMBL7471273

SCHEMBL7471273

CC1=COc2cc(C)ccc2C(=O)N1CCCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.58
KCNH2 Q12809 2/20 0.52
HTR7 P34969 1/20 0.48

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
SCHEMBL7469710 0.93 KCNH2 (0.57) HTR1AKCNH2HTR7
SCHEMBL7469705 0.91 HTR1A (0.58) HTR1AKCNH2HTR7
SCHEMBL7466197 0.91 HTR1A (0.57) HTR1AKCNH2HTR7
SCHEMBL7469317 0.90 HTR1A (0.56) HTR1AKCNH2HTR7
SCHEMBL7470345 0.89 HTR1A (0.66) HTR1AHTR7
SCHEMBL7469017 0.85 HTR1A (0.64) HTR1AHTR7
SCHEMBL7464090 0.83 KCNH2 (0.44) HTR1AKCNH2HTR7
SCHEMBL7470747 0.80 DRD2 (0.41) HTR1AKCNH2HTR7
SCHEMBL7466735 0.80 KCNH2 (0.53) HTR1AKCNH2HTR7
SCHEMBL7469636 0.79 HTR1A (0.39) HTR1A

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