SCHEMBL7470291

SCHEMBL7470291

COCC1=COc2ccc(C)cc2C(=O)N1CCCCN1CCN(c2ccccn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.49
DRD2 P14416 5/20 0.49
HTR2A P28223 2/20 0.49
HTR7 P34969 2/20 0.49
HTR6 P50406 2/20 0.49
KCNH2 Q12809 1/20 0.49
DRD4 P21917 4/20 0.46
DRD3 P35462 3/20 0.46
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
DRD1 P21728 1/20 0.44

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
SCHEMBL7470410 0.91 HTR1A (0.53) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7469040 0.91 DRD4 (0.50) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7471417 0.90 HTR1A (0.56) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7476863 0.90 KCNH2 (0.51) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7478663 0.87 HTR1A (0.36) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7465127 0.85 HTR1A (0.36) HTR1ADRD2HTR2ADRD4DRD3
SCHEMBL7478658 0.84 HRH4 (0.40) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7470711 0.83 KCNH2 (0.51) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7464933 0.82 HTR1A (0.62) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7471385 0.82 DRD2 (0.44) 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