SCHEMBL7467468

SCHEMBL7467468

CC1=COc2ccccc2C(=O)N1CCCCN1CCN(c2ncccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.68
DRD2 P14416 6/20 0.55
HTR2A P28223 5/20 0.55
HTR7 P34969 4/20 0.55
HTR6 P50406 4/20 0.55
DRD3 P35462 3/20 0.53
ABCB11 O95342 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
ADRA2A P08913 1/20 0.52
CYP2D6 P10635 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
DRD4 P21917 1/20 0.52
ADRA1D P25100 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
DRD1 P21728 1/20 0.51

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
SCHEMBL7470178 0.91 HTR1A (0.60) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7464604 0.88 HTR1A (0.57) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7476662 0.88 HTR1A (0.68) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7473568 0.87 HTR1A (0.56) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7476756 0.87 HTR1A (0.56) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7470345 0.86 HTR1A (0.66) HTR1ADRD2HTR7DRD3
SCHEMBL7467334 0.86 HTR1A (0.65) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7477362 0.86 HTR1A (0.54) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7471835 0.86 HTR1A (0.54) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7477179 0.85 HTR1A (0.65) 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