SCHEMBL7470561

SCHEMBL7470561

CC1=COc2ccc(C)cc2C(=O)N1CCCCN1CC=C(c2ccccn2)CC1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
DRD2 P14416 6/20 0.47
HTR1A P08908 2/20 0.42
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL7472651 0.93 SIGMAR1 (0.47) SIGMAR1DRD2HTR1ADRD4HTR2A
SCHEMBL6171250 0.92 SIGMAR1 (0.52) SIGMAR1DRD2HTR1ADRD4HTR2A
SCHEMBL7472426 0.91 SIGMAR1 (0.51) SIGMAR1DRD2
SCHEMBL7465220 0.91 SIGMAR1 (0.46) SIGMAR1DRD2HTR1A
SCHEMBL7472293 0.90 SIGMAR1 (0.49) SIGMAR1DRD2HTR1A
SCHEMBL7469333 0.90 SIGMAR1 (0.47) SIGMAR1DRD2HTR1ADRD4HTR2A
SCHEMBL7472867 0.88 DRD2 (0.37) SIGMAR1DRD2HTR1AHTR2AHTR7
SCHEMBL7464916 0.87 DRD2 (0.48) SIGMAR1DRD2HTR1A
Piclozotan SCHEMBL30249060 0.83 SIGMAR1 (0.54) SIGMAR1DRD2HTR1ADRD4HTR2A
Piclozotan SCHEMBL562627 0.83 SIGMAR1 (0.54) SIGMAR1DRD2HTR1ADRD4HTR2A

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