SCHEMBL7478663

SCHEMBL7478663

COCC1=COc2ccc(C)cc2C(=O)N1CCCCN1CCN(c2c[nH]cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.36
HTR7 P34969 2/20 0.35
DRD2 P14416 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX12 P18054 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2A P28223 1/20 0.35
HTR6 P50406 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL7470291 0.87 HTR1A (0.49) HTR1AHTR7DRD2DRD3HTR2A
SCHEMBL7470410 0.85 HTR1A (0.53) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7478658 0.80 HRH4 (0.40) HTR1AHTR7DRD2ALDH1A1DRD3
SCHEMBL7476119 0.79 HTR1A (0.41) HTR1AHTR7DRD2DRD3HTR2A
SCHEMBL7465127 0.79 HTR1A (0.36) HTR1ADRD2DRD3HTR2A
SCHEMBL7469040 0.78 DRD4 (0.50) HTR1AHTR7DRD2DRD3HTR2A
SCHEMBL7470217 0.78 HTR1A (0.41) HTR1AHTR7DRD2DRD3HTR2A
SCHEMBL7471417 0.77 HTR1A (0.56) HTR1AHTR7DRD2DRD3HTR2A
SCHEMBL7472845 0.77 DRD2 (0.33) HTR1ADRD2MEN1KMT2A
SCHEMBL7476863 0.77 KCNH2 (0.51) HTR1AHTR7DRD2ADRA1DADRA1A

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