SCHEMBL7472845

SCHEMBL7472845

COCC1=COc2ccc(C)cc2C(=O)N1CCCCN1CCC=C(c2ncccn2)C1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
HTR1A P08908 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL7471385 0.88 DRD2 (0.44) DRD2HTR1A
SCHEMBL7471547 0.86 HTR1A (0.36) HTR1A
SCHEMBL7470535 0.85 DRD2 (0.35) DRD2HTR1A
SCHEMBL7477689 0.84 DRD2 (0.36) DRD2HTR1A
SCHEMBL7469789 0.83 SIGMAR1 (0.39) HTR1A
SCHEMBL7470410 0.82 HTR1A (0.53) DRD2HTR1A
SCHEMBL7466466 0.81 DRD2 (0.38) DRD2HTR1A
SCHEMBL7470291 0.81 HTR1A (0.49) DRD2HTR1A
SCHEMBL7461529 0.81 THRB (0.38) HTR1AMEN1KMT2A
SCHEMBL7465127 0.81 HTR1A (0.36) DRD2HTR1A

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