SCHEMBL4564691

SCHEMBL4564691

O=C1CNC2(CCC(S(=O)(=O)c3ccc(-c4ccc5cccnc5c4)cc3F)CC2)CC1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FASN P49327 6/20 0.36
GSK3B P49841 1/20 0.34
COMT P21964 3/20 0.32
ALOX5AP P20292 7/20 0.32
FEN1 P39748 5/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32

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
SCHEMBL4565609 0.90 FASN (0.38) FASNGSK3BCOMTDDB1CRBN
SCHEMBL4565737 0.87 GSK3B (0.37) FASNGSK3BDDB1CRBN
SCHEMBL4565347 0.87 MAPK14 (0.35) FASNGSK3BCOMTDDB1CRBN
SCHEMBL4565459 0.84 ALOX5AP (0.35) FASNALOX5APFEN1
SCHEMBL4564399 0.82 FASN (0.37) FASNGSK3BDDB1CRBN
SCHEMBL4564893 0.82 FASN (0.35) FASNGSK3B
SCHEMBL15543695 0.82 FASN (0.39) FASNGSK3BDDB1CRBN
SCHEMBL4565605 0.81 MAPK14 (0.37) FASNGSK3BDDB1CRBN
SCHEMBL4562348 0.81 KDM4E (0.31) FASN
SCHEMBL15559477 0.81 FASN (0.38) FASNGSK3BDDB1CRBN

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