SCHEMBL4564893

SCHEMBL4564893

O=C1CNC2(CCC(S(=O)(=O)c3ccc(-c4ccc5cccnc5c4)c(C(F)(F)F)c3)CC2)CC1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FASN P49327 2/20 0.35
HSD11B1 P28845 1/20 0.31
LOXL2 Q9Y4K0 2/20 0.31
CCR6 P51684 2/20 0.31
MAPK14 Q16539 1/20 0.31
NR3C1 P04150 1/20 0.30
KCNH2 Q12809 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL4565605 0.88 MAPK14 (0.37) FASNLOXL2MAPK14GSK3B
SCHEMBL4564364 0.87 HTR6 (0.36) FASNLOXL2MAPK14GSK3B
SCHEMBL4564399 0.83 FASN (0.37) FASNLOXL2CCR6KCNH2GSK3B
SCHEMBL4565347 0.83 MAPK14 (0.35) FASNMAPK14GSK3B
SCHEMBL4564691 0.82 FASN (0.36) FASNGSK3B
SCHEMBL4565737 0.81 GSK3B (0.37) FASNLOXL2MAPK14GSK3B
SCHEMBL4565609 0.79 FASN (0.38) FASNGSK3B
SCHEMBL4561087 0.77 LOXL2 (0.33) FASNLOXL2MAPK14GSK3B
SCHEMBL4561931 0.75 FASN (0.41) FASNLOXL2MAPK14GSK3B
SCHEMBL15544262 0.75 FASN (0.35) FASNMAPK14GSK3B

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-2637660-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-18 EP disclosed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 WO disclosed