SCHEMBL7465563

SCHEMBL7465563

CC1=COc2ccc(F)cc2C(=O)N1CCCCN1CCN(c2cccc(Cl)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.42
DRD2 P14416 3/20 0.42
HTR2A P28223 3/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR7 P34969 2/20 0.40
HTR6 P50406 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40

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
SCHEMBL7476360 0.88 HTR1A (0.50) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7477530 0.88 HTR1A (0.48) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7472431 0.86 HTR7 (0.52) HTR1ADRD2HTR2ALMNAHTR7
SCHEMBL7464090 0.86 KCNH2 (0.44) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7468056 0.85 DRD2 (0.38) HTR1ADRD2HTR2A
SCHEMBL7476756 0.84 HTR1A (0.56) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7476119 0.83 HTR1A (0.41) HTR1ADRD2HTR2AKDM4ELMNA
SCHEMBL7466735 0.83 KCNH2 (0.53) HTR1ADRD2HTR2AKDM4ELMNA
SCHEMBL7477470 0.81 HTR1A (0.52) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7469282 0.79 KCNH2 (0.45) 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