SCHEMBL7470535

SCHEMBL7470535

COCC1=COc2cc(C)ccc2C(=O)N1CCCCN1CCC=C(c2ccccn2)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
HTR1A P08908 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM3 P20309 1/20 0.32
KCNH2 Q12809 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32

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
SCHEMBL7476740 0.88 DRD2 (0.36) DRD2SIGMAR1CHRM2CHRM4CHRM5
SCHEMBL7472109 0.88 DRD2 (0.46) DRD2HTR1ASIGMAR1
SCHEMBL7469789 0.87 SIGMAR1 (0.39) HTR1ASIGMAR1
SCHEMBL7476732 0.85 DRD2 (0.35) DRD2
SCHEMBL7472845 0.85 DRD2 (0.33) DRD2HTR1A
SCHEMBL7472867 0.83 DRD2 (0.37) DRD2HTR1ASIGMAR1CHRM2CHRM4
SCHEMBL7471547 0.83 HTR1A (0.36) HTR1A
SCHEMBL7469396 0.82 DRD2 (0.36) DRD2HTR1A
SCHEMBL7475313 0.82 DRD2 (0.37) DRD2HTR1A
SCHEMBL7477689 0.82 DRD2 (0.36) DRD2HTR1A

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