Sugi Predict

Sugi Predict / Compounds / SCHEMBL4780169

SCHEMBL4780169

SCHEMBL4780169

CN(C)CC=O.Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(C(=O)CN(C)C)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 9/20 0.33
▸ OPRD1 P41143 5/20 0.33
▸ OPRK1 P41145 5/20 0.33
▸ OPRM1 P35372 4/20 0.32
▸ BCHE P06276 1/20 0.32
▸ KIF11 P52732 3/20 0.31
▸ TLR9 Q9NR96 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL4021764 0.95 MGLL (0.36) MGLLOPRD1OPRK1OPRM1BCHE
SCHEMBL4021758 0.95 MGLL (0.36) MGLLOPRD1OPRK1OPRM1BCHE
SCHEMBL4019124 0.84 SIGMAR1 (0.38) MGLLOPRD1OPRK1OPRM1BCHE
SCHEMBL4019114 0.84 SIGMAR1 (0.38) MGLLOPRD1OPRK1OPRM1BCHE
SCHEMBL4019088 0.83 MGLL (0.35) MGLL
SCHEMBL4019096 0.83 MGLL (0.35) MGLL
SCHEMBL4025306 0.83 HSD11B1 (0.41) MGLL
SCHEMBL4025311 0.83 HSD11B1 (0.41) MGLL
SCHEMBL4020376 0.82 MGLL (0.34) MGLLOPRD1OPRK1
SCHEMBL4026185 0.82 MGLL (0.34) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 — — EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 — — WO claimed