SCHEMBL7501896

SCHEMBL7501896

CC1CN(C(=O)COc2nc(-c3ccc(Cl)cc3)nc3c2CCCC3)CC(C)O1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GLA P06280 1/20 0.43
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL7495437 0.90 POLB (0.55) POLBCYP2C19SMN1; SMN2TSHR
SCHEMBL7499083 0.79 KDM4E (0.45) KMT2AKDM4E
SCHEMBL7501517 0.79 TP53 (0.52) POLBKMT2ATP53
SCHEMBL7496362 0.73 POLB (0.55) L3MBTL1POLBCYP2C19KMT2AKDM4E
SCHEMBL8436119 0.71 KMT2A (0.37) POLBKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7495188 0.68 POLB (0.54) POLB
SCHEMBL7502547 0.67 GLA (0.48) L3MBTL1POLBCYP2C19KMT2AKDM4E
SCHEMBL4807895 0.66 GABRA1 (0.54)
SCHEMBL7500916 0.66 POLB (0.43) POLBMAPTTDP1TP53
SCHEMBL6075338 0.65 TP53 (0.49) KMT2ASMN1; SMN2ALDH1A1MAPTTP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826673-B1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2002-11-20 EP disclosed
US-5972946-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US disclosed
EP-0826673-A1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-03-04 EP disclosed