SCHEMBL7469706

SCHEMBL7469706

CC1=COc2cc(C)ccc2C(=O)N1CCCCN1CCC(c2ncc(F)c(N)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.34
HTR2A P28223 2/20 0.34
PDE6D O43924 2/20 0.33
HTR1A P08908 1/20 0.33
MCHR1 Q99705 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
SCHEMBL7470427 0.84 ADORA2A (0.35)
SCHEMBL7469636 0.84 HTR1A (0.39) DRD2HTR2AHTR1A
SCHEMBL7476508 0.80 HTR1A (0.45) DRD2HTR2AHTR1A
SCHEMBL7471898 0.79 HTR1A (0.44) DRD2HTR2AHTR1A
SCHEMBL7475669 0.78 HTR1A (0.42) DRD2HTR2AHTR1A
SCHEMBL7469345 0.76 DRD2 (0.33) DRD2HTR1A
SCHEMBL7465146 0.76 DRD2 (0.37) DRD2HTR2APDE6D
SCHEMBL7471767 0.76 HTR1A (0.39) DRD2HTR2AHTR1A
SCHEMBL7476895 0.75 DRD3 (0.37) DRD2HTR1A
SCHEMBL7478202 0.75 DRD2 (0.42) DRD2HTR2AHTR1A

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