SCHEMBL7471090

SCHEMBL7471090

COCC1=COc2cc(Cl)ccc2C(=O)N1CCCCN1CC=C(c2cccc(Cl)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.43
HTR1A P08908 2/20 0.38
PARP1 P09874 3/20 0.37
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL7472488 0.92 DRD2 (0.42) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL7472345 0.84 PARP1 (0.41) DRD2PARP1
SCHEMBL7466404 0.83 DRD2 (0.46) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL7470062 0.82 HTR1A (0.36) DRD2HTR1AHTR2A
SCHEMBL7472109 0.81 DRD2 (0.46) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL7462465 0.81 DRD2 (0.47) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL7472020 0.80 DRD2 (0.43) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL7464323 0.79 DRD2 (0.47) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL7471322 0.79 DRD2 (0.45) DRD2HTR1A
SCHEMBL6170029 0.78 SIGMAR1 (0.52) DRD2HTR1APARP1

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