SCHEMBL4560993

SCHEMBL4560993

O=C1COC2(CCC(S(=O)(=O)c3ccc(-c4ccc5cccnc5c4)cc3)CC2)CN1C1(CO)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FASN P49327 10/20 0.56
GSK3B P49841 1/20 0.35
F10 P00742 1/20 0.32
ROCK2 O75116 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
CHRM5 P08912 1/20 0.31
MET P08581 1/20 0.31
LOXL2 Q9Y4K0 2/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 1/20 0.30
MAPK14 Q16539 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
SCHEMBL4534412 0.86 FASN (0.70) FASNGSK3BCHRM5HTR7HTR6
SCHEMBL15543513 0.77 FASN (0.46) FASNGSK3BROCK2MET
SCHEMBL4538762 0.76 FASN (0.67) FASNROCK2CHRM5HTR7HTR6
SCHEMBL15544134 0.76 FASN (0.45) FASNGSK3BROCK2MET
SCHEMBL4566498 0.74 FASN (0.42) FASN
SCHEMBL14720295 0.73 FASN (0.43) FASNGSK3BMET
SCHEMBL4539663 0.73 FASN (0.73) FASNCHRM5HTR7HTR6
SCHEMBL15239171 0.73 FASN (0.69) FASNGSK3BCHRM5HTR7HTR6
SCHEMBL15239145 0.72 FASN (0.73) FASNCHRM5HTR7HTR6
SCHEMBL4540768 0.72 FASN (0.71) FASNCHRM5HTR7HTR6

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 claimed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 WO claimed