SCHEMBL7468538

SCHEMBL7468538

COc1ccc2c(c1)OC=CN(CCCCN1CCN(c3ccccn3)CC1)C2=O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.55
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
SIGMAR1 Q99720 2/20 0.52
DRD4 P21917 2/20 0.51
DRD3 P35462 2/20 0.51
HTR7 P34969 1/20 0.51
HRH3 Q9Y5N1 2/20 0.48
KCNH2 Q12809 1/20 0.47

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
SCHEMBL7477641 0.91 DRD2 (0.48) HTR1AHRH3
SCHEMBL7469171 0.86 KCNH2 (0.50) HTR1AHTR2AHTR2CDRD4DRD3
SCHEMBL7670715 0.86 KCNH2 (0.56) HTR1AHTR2ADRD3HTR7KCNH2
SCHEMBL7477921 0.84 DRD2 (0.50) HTR1AHTR2AHTR2CDRD4DRD3
SCHEMBL7473274 0.83 DRD2 (0.51) HTR1AHTR2AHTR2CSIGMAR1DRD4
SCHEMBL7476626 0.83 HTR1A (0.57) HTR1AHTR2AHTR2CSIGMAR1DRD4
SCHEMBL7467438 0.83 HTR1A (0.55) HTR1AHTR2AHTR2CSIGMAR1DRD4
SCHEMBL7467487 0.82 HTR1A (0.53) HTR1AHTR2ADRD3HTR7KCNH2
SCHEMBL7466343 0.81 SIGMAR1 (0.37) HTR1AHTR2AHTR2CSIGMAR1DRD4
SCHEMBL7473374 0.81 SIGMAR1 (0.46) HTR1ASIGMAR1

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