SCHEMBL7470747

SCHEMBL7470747

COc1cncc(N2CCN(CCCCN3C(=O)c4ccc(C)cc4OC=C3C)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.41
DRD3 P35462 1/20 0.41
HTR1A P08908 9/20 0.40
HTR2A P28223 3/20 0.40
HTR6 P50406 3/20 0.40
HTR7 P34969 3/20 0.40
ALDH1A1 P00352 2/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX12 P18054 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 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
SCHEMBL7473640 0.93 DRD2 (0.41) DRD2DRD3HTR1AHTR2AHTR6
SCHEMBL7466521 0.90 DRD2 (0.39) DRD2DRD3HTR1AHTR2AHTR6
SCHEMBL7472277 0.86 DRD2 (0.41) DRD2DRD3HTR1A
SCHEMBL7476960 0.83 HTR1A (0.47) DRD2DRD3HTR1AHTR2AHTR6
SCHEMBL7464090 0.81 KCNH2 (0.44) DRD2HTR1AHTR2AHTR6HTR7
SCHEMBL7471273 0.80 HTR1A (0.58) HTR1AHTR7KCNH2
SCHEMBL7469710 0.79 KCNH2 (0.57) DRD2DRD3HTR1AHTR2AHTR6
SCHEMBL7469017 0.79 HTR1A (0.64) DRD2DRD3HTR1AHTR2AHTR6
SCHEMBL7467438 0.76 HTR1A (0.55) DRD2DRD3HTR1AHTR2AHTR6
SCHEMBL7471524 0.76 HTR4 (0.33) DRD2DRD3HTR1AKCNH2

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