SCHEMBL4564364

SCHEMBL4564364

COc1cc(S(=O)(=O)C2CCC3(CC2)CC(C2CC2)C(=O)CN3)ccc1-c1ccc2cccnc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.36
FASN P49327 4/20 0.36
GABRA2 P47869 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
DRD3 P35462 1/20 0.33
MAPK14 Q16539 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
TP53 P04637 1/20 0.30
GSK3B P49841 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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 0.91 MAPK14 (0.37) HTR6FASNHTR7MAPK14LOXL2
SCHEMBL4564893 0.87 FASN (0.35) FASNMAPK14LOXL2GSK3B
SCHEMBL4565347 0.85 MAPK14 (0.35) FASNMAPK14GSK3B
SCHEMBL4564399 0.84 FASN (0.37) HTR6FASNHTR7LOXL2GSK3B
SCHEMBL4565737 0.80 GSK3B (0.37) FASNMAPK14LOXL2GSK3B
SCHEMBL4564691 0.80 FASN (0.36) FASNGSK3B
SCHEMBL4565609 0.80 FASN (0.38) HTR6FASNHTR7GSK3B
SCHEMBL4561087 0.79 LOXL2 (0.33) FASNMAPK14LOXL2GSK3B
SCHEMBL4541625 0.78 FASN (0.38) HTR6FASNCYP1A2CYP3A4HTR1A
SCHEMBL4561931 0.78 FASN (0.41) HTR6FASNMAPK14LOXL2GSK3B

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