SCHEMBL7478658

SCHEMBL7478658

COCC1=COc2ccc(C)cc2C(=O)N1CCCCN1CCN(c2ncnc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.40
RAB9A P51151 2/20 0.40
GBA1 P04062 1/20 0.40
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
NOD2 Q9HC29 1/20 0.39
TNF P01375 3/20 0.39
NOD1 Q9Y239 3/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
AURKA O14965 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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 0.84 HTR1A (0.49) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL7470410 0.84 HTR1A (0.53) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL7476112 0.81 TNF (0.50) HRH4MAPK1LMNATNFNOD1
SCHEMBL7478663 0.80 HTR1A (0.36) DRD2DRD3ALDH1A1HTR1AHTR2A
SCHEMBL7470210 0.80 HTT (0.44) DRD2DRD3HTR1AHTR7
SCHEMBL7476443 0.79 HTR1A (0.46) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL7477239 0.78 DRD2 (0.38) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL7476732 0.78 DRD2 (0.35) DRD2
SCHEMBL7465127 0.78 HTR1A (0.36) DRD2DRD3HTR1AHTR2A
SCHEMBL7464933 0.77 HTR1A (0.62) DRD2DRD3ALDH1A1HTR1AHTR2A

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