SCHEMBL7470708

SCHEMBL7470708

Cc1ccc2c(c1)OC=C(CCl)N(CCCCN1CCCC(c3ccccn3)C1)C2=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.37
DRD2 P14416 2/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
HTR7 P34969 2/20 0.35
HTR1A P08908 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
MAP3K12 Q12852 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
SCHEMBL7463338 0.85 DRD4 (0.46) DRD4DRD3DRD2ADRA1DADRA1A
SCHEMBL7471020 0.84 DRD4 (0.49) DRD4DRD3DRD2HTR7HTR1A
SCHEMBL7466661 0.83 DRD4 (0.46) DRD4DRD3DRD2HTR7HTR1A
SCHEMBL7476277 0.82 THRB (0.38) DRD4DRD3DRD2HTR7HTR1A
SCHEMBL7463900 0.82 DRD3 (0.36) DRD4DRD3DRD2HTR7HTR1A
SCHEMBL7470711 0.82 KCNH2 (0.51) DRD4DRD3DRD2ADRA1DADRA1A
SCHEMBL7469687 0.81 DRD4 (0.44) DRD4DRD3HTR7HTR1AHRH1
SCHEMBL7472190 0.81 HTR1A (0.41) DRD3HTR7HTR1AHRH1HTR2B
SCHEMBL7476895 0.81 DRD3 (0.37) DRD4DRD3DRD2HTR7HTR1A
SCHEMBL7474249 0.80 HTR4 (0.34) DRD4DRD3DRD2HTR7HTR1A

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