SCHEMBL7475072

SCHEMBL7475072

CC1=COc2ccc(F)cc2C(=O)N1CCCCN1CCC(c2ncccn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.42
HTR2A P28223 3/20 0.40
HTR1A P08908 3/20 0.40
MCHR1 Q99705 1/20 0.40
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL7473618 0.90 DRD2 (0.42) DRD2HTR2A
SCHEMBL7472828 0.90 HTR1A (0.37) HTR1A
SCHEMBL7468139 0.88 HTR1A (0.46) DRD2HTR2AHTR1A
SCHEMBL7476499 0.88 HTR1A (0.41) DRD2HTR1A
SCHEMBL7476756 0.85 HTR1A (0.56) DRD2HTR2AHTR1A
SCHEMBL7469636 0.85 HTR1A (0.39) DRD2HTR2AHTR1A
SCHEMBL7472431 0.84 HTR7 (0.52) DRD2HTR2AHTR1AKCNH2
SCHEMBL7468056 0.84 DRD2 (0.38) DRD2HTR2AHTR1AMCHR1
SCHEMBL7471674 0.82 HTR1A (0.41) DRD2HTR2AHTR1A
SCHEMBL7470608 0.81 DRD2 (0.49) 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