SCHEMBL7472867

SCHEMBL7472867

CC1=COc2ccc(C)cc2C(=O)N1CCCCN1CCC=C(c2ccccn2)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.37
HTR1A P08908 2/20 0.36
SIGMAR1 Q99720 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM3 P20309 1/20 0.35
KCNH2 Q12809 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL7462766 0.93 SIGMAR1 (0.36) DRD2HTR1ASIGMAR1CHRM2CHRM4
SCHEMBL7466677 0.90 SIGMAR1 (0.39) HTR1ASIGMAR1
SCHEMBL7470561 0.88 SIGMAR1 (0.49) DRD2HTR1ASIGMAR1HTR2AHTR7
SCHEMBL7475313 0.86 DRD2 (0.37) DRD2HTR1AHTR2AHTR7
SCHEMBL7477128 0.84 THRB (0.37) DRD2HTR1AHTR2AHTR7
SCHEMBL7466466 0.84 DRD2 (0.38) DRD2HTR1ASIGMAR1CHRM2CHRM4
SCHEMBL7473664 0.83 HTR1A (0.40) DRD2HTR1ASIGMAR1HTR2AHTR7
SCHEMBL7470535 0.83 DRD2 (0.35) DRD2HTR1ASIGMAR1CHRM2CHRM4
SCHEMBL7470769 0.83 HTR1A (0.41) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL7463970 0.83 DRD2 (0.34) DRD2HTR1AHTR2AHTR7HTR6

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