SCHEMBL7473384

SCHEMBL7473384

COc1ccc2c(c1)OC=CN(CCCCN1CCN(c3ncc(F)c(N)n3)CC1)C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.38
DRD2 P14416 4/20 0.37
HTR2A P28223 4/20 0.37
HTR6 P50406 4/20 0.37
HTR7 P34969 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
DRD1 P21728 2/20 0.36
DRD4 P21917 2/20 0.36
SLC6A2 P23975 2/20 0.36
HRH2 P25021 2/20 0.36
ADRA1D P25100 2/20 0.36
HTR2C P28335 2/20 0.36
SLC6A4 P31645 2/20 0.36
ADRA1A P35348 2/20 0.36
HRH1 P35367 2/20 0.36

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
SCHEMBL7465146 0.87 DRD2 (0.37) DRD2HTR2AHTR2C
SCHEMBL7477641 0.85 DRD2 (0.48) HTR1ADRD2
SCHEMBL7468538 0.80 HTR1A (0.55) HTR1AHTR2AHTR7SIGMAR1DRD4
SCHEMBL7471195 0.79 HTR1A (0.42) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL7477136 0.78 HTR1A (0.41) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL7467487 0.76 HTR1A (0.53) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL7471898 0.74 HTR1A (0.44) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL7477921 0.74 DRD2 (0.50) HTR1ADRD2HTR2AHTR7DRD4
SCHEMBL7473493 0.73 MAOB (0.36)
SCHEMBL7471601 0.73 DRD2 (0.39) HTR1ADRD2HTR2AHTR6HTR7

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