SCHEMBL4084264

SCHEMBL4084264

CN(C)C1(c2cccs2)CCC(NC(=O)CCCC(=O)Nc2ccc(OC(=O)NC(C)(C)C)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
ALDH1A1 P00352 2/20 0.36
MAPT P10636 5/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TP53 P04637 3/20 0.35
LMNA P02545 1/20 0.34
ICMT O60725 1/20 0.34
ALB P02768 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL206885 0.86 OPRM1 (0.41) OPRM1OPRL1MAPTTP53ICMT
SCHEMBL4084421 0.84 OPRM1 (0.45) OPRM1OPRL1ALDH1A1MAPTTP53
SCHEMBL4074077 0.82 OPRM1 (0.51) OPRM1OPRL1NPC1RAB9A
SCHEMBL205762 0.82 OPRM1 (0.46) OPRM1OPRL1ALDH1A1MAPTKMT2A
SCHEMBL4084259 0.80 OPRM1 (0.38) OPRM1OPRL1ALDH1A1MAPTTP53
SCHEMBL4074080 0.79 OPRM1 (0.51) OPRM1OPRL1NPC1RAB9A
SCHEMBL4079677 0.78 OPRM1 (0.47) OPRM1OPRL1NPC1RAB9A
SCHEMBL4079674 0.75 OPRM1 (0.45) OPRM1OPRL1NPC1RAB9A
SCHEMBL4079669 0.75 OPRM1 (0.45) OPRM1OPRL1ALDH1A1NPC1RAB9A
SCHEMBL250636 0.74 LTA4H (0.52) ALDH1A1MAPTKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed