SCHEMBL7470769

SCHEMBL7470769

CC1=COc2ccccc2C(=O)N1CCCCN1CCC=C(c2ncccn2)C1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.41
HTR7 P34969 2/20 0.38
DRD3 P35462 1/20 0.38
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR6 P50406 1/20 0.37
MAOB P27338 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
SCHEMBL7466466 0.90 DRD2 (0.38) HTR1ADRD2
SCHEMBL7467773 0.89 HTR1A (0.41) HTR1AHTR7DRD3
SCHEMBL7463970 0.88 DRD2 (0.34) HTR1AHTR7DRD3DRD2HTR2A
SCHEMBL7469014 0.87 HTR1A (0.40) HTR1AHTR7DRD3DRD2HTR2A
SCHEMBL7476677 0.87 HTR1A (0.38) HTR1A
SCHEMBL7475991 0.85 DRD2 (0.48) HTR1AHTR7DRD3DRD2HTR2A
SCHEMBL7472867 0.83 DRD2 (0.37) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7469262 0.82 DRD2 (0.37) HTR1ADRD2
SCHEMBL7475313 0.82 DRD2 (0.37) HTR1AHTR7DRD3DRD2HTR2A
SCHEMBL7473664 0.81 HTR1A (0.40) HTR1AHTR7DRD3DRD2HTR2A

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