SCHEMBL7471601

SCHEMBL7471601

COc1ccc2c(c1)OC=CN(CCCCN1CCC(c3cccc(Cl)n3)CC1)C2=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
HTR1A P08908 6/20 0.37
MCHR1 Q99705 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTR2A P28223 2/20 0.35
HTR6 P50406 2/20 0.35
HTR7 P34969 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL7477921 0.86 DRD2 (0.50) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL7476306 0.86 HTR1A (0.42) DRD2HTR1AHTR2AHTR6HTR7
SCHEMBL7473274 0.85 DRD2 (0.51) DRD2DRD4DRD3SIGMAR1HTR1A
SCHEMBL7476391 0.82 PARP1 (0.40) SIGMAR1HTR1AHTR6
SCHEMBL7465146 0.78 DRD2 (0.37) DRD2KCNH2HTR2A
SCHEMBL7473223 0.77 HTR1A (0.41) DRD2HTR1A
SCHEMBL7471947 0.77 DRD2 (0.41) DRD2HTR1A
SCHEMBL7477641 0.77 DRD2 (0.48) DRD2HTR1A
SCHEMBL7470461 0.76 HTR1A (0.39) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL7467487 0.75 HTR1A (0.53) DRD2DRD3HTR1AKCNH2HTR2A

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