SCHEMBL7473493

SCHEMBL7473493

COc1ccc2c(c1)OC=CN(CCCCl)C2=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.36
CYP19A1 P11511 4/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DYRK1A Q13627 1/20 0.34
APAF1 O14727 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RXRA P19793 1/20 0.34

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
SCHEMBL7466022 0.87 CYP19A1 (0.35) MAOBCYP19A1CYP3A4MAPTKMT2A
SCHEMBL7459863 0.86 HDAC3 (0.36) MAOBCYP19A1CYP3A4MAPTKMT2A
SCHEMBL7477641 0.79 DRD2 (0.48) MAOBALDH1A1
SCHEMBL7468538 0.77 HTR1A (0.55)
SCHEMBL7472531 0.75 SIGMAR1 (0.42) ALDH1A1
SCHEMBL7473274 0.75 DRD2 (0.51)
SCHEMBL7470642 0.75 SIGMAR1 (0.35) ALDH1A1
SCHEMBL7471947 0.75 DRD2 (0.41) MAOB
SCHEMBL7467487 0.75 HTR1A (0.53)
SCHEMBL7476114 0.75 HDAC3 (0.40) MEN1LMNAMAPTKMT2ASMN1; SMN2

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