SCHEMBL7473410

SCHEMBL7473410

COCC1=COc2cc(C)ccc2C(=O)N1CCCCN1CCC(c2ncccn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.36
HTR1A P08908 4/20 0.36
HTR2A P28223 3/20 0.36
DRD4 P21917 1/20 0.35
DRD3 P35462 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
SCHEMBL7465127 0.93 HTR1A (0.36) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL7469636 0.88 HTR1A (0.39) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL7471767 0.87 HTR1A (0.39) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL7473788 0.82 HTR1A (0.40) HTR1A
SCHEMBL7472739 0.82 DRD2 (0.48) DRD2HTR1ADRD4DRD3
SCHEMBL7464061 0.81 DRD2 (0.42) DRD2HTR1ADRD4DRD3
SCHEMBL7471674 0.81 HTR1A (0.41) DRD2HTR1AHTR2A
SCHEMBL7473722 0.80 HTR1A (0.39) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL7472109 0.80 DRD2 (0.46) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL7463219 0.79

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