SCHEMBL4565386

SCHEMBL4565386

CC1(C2CC3(CCC(S(=O)(=O)c4ccc(-c5ccc6cccnc6c5)cc4)CC3)NCC2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FASN P49327 7/20 0.40
GSK3B P49841 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.34
HTR6 P50406 6/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
MAPK14 Q16539 1/20 0.32
HTR7 P34969 3/20 0.31
HTR1A P08908 2/20 0.31
DRD2 P14416 2/20 0.31
HTR2A P28223 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
DRD3 P35462 1/20 0.31
F10 P00742 1/20 0.31
KDM5B Q9UGL1 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
SCHEMBL4541625 0.84 FASN (0.38) FASNGSK3BLOXL2HTR6DDB1
SCHEMBL4565372 0.80 PIK3C3 (0.36)
SCHEMBL4565605 0.78 MAPK14 (0.37) FASNGSK3BLOXL2HTR6DDB1
SCHEMBL4564399 0.78 FASN (0.37) FASNGSK3BLOXL2HTR6DDB1
SCHEMBL4564364 0.77 HTR6 (0.36) FASNGSK3BLOXL2HTR6MAPK14
SCHEMBL4561931 0.76 FASN (0.41) FASNGSK3BLOXL2HTR6DDB1
SCHEMBL4565737 0.76 GSK3B (0.37) FASNGSK3BLOXL2DDB1CRBN
SCHEMBL4565522 0.76 FASN (0.40) FASNGSK3BDDB1CRBNMAPK14
SCHEMBL4565609 0.75 FASN (0.38) FASNGSK3BHTR6DDB1CRBN
SCHEMBL4564691 0.75 FASN (0.36) 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