SCHEMBL7474881

SCHEMBL7474881

COc1ccc2c(c1)OCC(=O)NC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 6/20 0.47
KMT2A Q03164 4/20 0.47
MAOB P27338 4/20 0.47
MEN1 O00255 3/20 0.47
ALOX15 P16050 3/20 0.47
HPGD P15428 3/20 0.47
ALOX12 P18054 2/20 0.47
POLB P06746 2/20 0.47
HSD17B10 Q99714 2/20 0.47
PKM P14618 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
CYP3A4 P08684 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 3/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
TDP2 O95551 1/20 0.47

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
SCHEMBL8795727 0.88 ALDH1A1 (0.56) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL1494348 0.81 DRD4 (0.59) MAPTALDH1A1KDM4EKMT2AMAOB
SCHEMBL30871998 0.81 DRD4 (0.59) MAPTALDH1A1KDM4EKMT2AMAOB
SCHEMBL9369098 0.80 MMP12 (0.61) MAPTKDM4EMAOBPOLBPKM
SCHEMBL31689707 0.79 MAPT (0.59) MAPTALDH1A1KDM4EKMT2AMAOB
SCHEMBL68899 0.79 MAPT (0.59) MAPTALDH1A1KDM4EKMT2AMAOB
SCHEMBL12316529 0.78 CYP19A1 (0.49) MAPTALDH1A1KDM4EKMT2AMAOB
SCHEMBL705600 0.78 MAPT (0.64) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL6172784 0.76 PPOX (0.50) MAPTMAOBTDP2DRD2DRD4
SCHEMBL2990086 0.76 FABP6 (0.50) MAPTALDH1A1KMT2AMAOBMEN1

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 6 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-0376633-B1 Benzoxazepine derivatives SUNTORY LTD (JP) 1994-10-12 EP disclosed
US-5071845-A Psychotropic or anxyiolytic agent SUNTORY LIMITED (JP) 1991-12-10 US disclosed
EP-0376633-A2 Benzoxazepine derivatives SUNTORY LIMITED (JP) 1990-07-04 EP disclosed