SCHEMBL4564697

SCHEMBL4564697

O=C1CNC2(CCC(S(=O)(=O)c3ccc(-c4ccc5cc[nH]c5c4)cn3)CC2)CC1C1CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.33
KCNH2 Q12809 1/20 0.33
PIP4K2A P48426 1/20 0.33
PIP4K2B P78356 1/20 0.33
ABL1 P00519 1/20 0.32
MTOR P42345 1/20 0.30
ALOX5AP P20292 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
BRD4 O60885 1/20 0.30
FASN P49327 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
SCHEMBL4565373 0.83
SCHEMBL4564770 0.79 NR3C1 (0.33) BRD4
SCHEMBL4565380 0.79 ALOX5AP (0.36) ALOX5AP
SCHEMBL4565553 0.77 FGFR1 (0.37) ABL1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15545040 0.73 FFAR4 (0.35) FASN
SCHEMBL4564691 0.72 FASN (0.36) ALOX5APFASN
SCHEMBL15559412 0.72 FFAR4 (0.34)
SCHEMBL4564399 0.72 FASN (0.37) KCNH2FASN
SCHEMBL4565577 0.71 SGK1 (0.46) ABL1
SCHEMBL4560549 0.70 CA12 (0.36) FASN

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