SCHEMBL7470730

SCHEMBL7470730

COc1cncc(N2CCN(CCCCN3C=COc4ccccc4C3=O)CC2)n1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.42
DRD3 P35462 5/20 0.42
HTR2A P28223 3/20 0.42
DRD2 P14416 3/20 0.41
HTR2C P28335 1/20 0.40
HTR6 P50406 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX12 P18054 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR7 P34969 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL7464961 0.80 HTR1A (0.60) HTR1ADRD3HTR2ADRD2HTR6
SCHEMBL7670715 0.80 KCNH2 (0.56) HTR1ADRD3HTR2ADRD2HTR6
SCHEMBL7469341 0.79 HTR1A (0.44) HTR1ADRD3HTR2ADRD2HTR6
SCHEMBL7465959 0.79 HTR7 (0.64) HTR1ADRD3HTR2ADRD2HTR6
SCHEMBL7459884 0.78 HTR1A (0.41) HTR1ADRD3HTR2ADRD2HTR6
SCHEMBL7470315 0.77 HTR1A (0.61) HTR1ADRD3HTR2ADRD2HTR6
SCHEMBL7468538 0.75 HTR1A (0.55) HTR1ADRD3HTR2AHTR2CHTR7
SCHEMBL7473640 0.73 DRD2 (0.41) HTR1ADRD3HTR2ADRD2HTR6
SCHEMBL7470747 0.73 DRD2 (0.41) HTR1ADRD3HTR2ADRD2HTR6
SCHEMBL7472277 0.72 DRD2 (0.41) HTR1ADRD3DRD2

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