SCHEMBL7466537

SCHEMBL7466537

CC1=COc2ccccc2C(=O)N1CCCCN1CCCC(c2cccc(Cl)n2)C1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.40
HTR1A P08908 2/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2B P41595 1/20 0.40
HTR4 Q13639 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7469261 0.85 HTR4 (0.37) HTR7HTR1AHRH1DRD3HTR2B
SCHEMBL7473223 0.81 HTR1A (0.41) HTR1A
SCHEMBL7474249 0.80 HTR4 (0.34) HTR7HTR1AHRH1DRD3HTR2B
SCHEMBL7476360 0.80 HTR1A (0.50) HTR7HTR1ADRD3
SCHEMBL7469687 0.80 DRD4 (0.44) HTR7HTR1AHRH1DRD3HTR2B
SCHEMBL7468056 0.80 DRD2 (0.38) HTR1AHTR4
SCHEMBL7471492 0.79 HTR1A (0.37) HTR7HTR1ADRD3HTR4
SCHEMBL7464323 0.78 DRD2 (0.47) HTR7HTR1ADRD3HTR2B
SCHEMBL7471009 0.76 DRD4 (0.41) HTR1ADRD3
SCHEMBL7471893 0.76 HTR1A (0.43) HTR7HTR1AHRH1DRD3HTR2B

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