SCHEMBL4540739

SCHEMBL4540739

O=C1CN(C2CC2)CC2(CCN(S(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3F)CC2)O1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FASN P49327 2/20 0.37
CCR1 P32246 4/20 0.37
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
PKM P14618 2/20 0.36
PKLR P30613 1/20 0.36
SPR P35270 1/20 0.35
NPY5R Q15761 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL4540579 0.78 FASN (0.59) CNR1NPC1RAB9AFASNCCR1
SCHEMBL4535806 0.78 FASN (0.51) FASNPKMALDH1A1KDM4EL3MBTL1
SCHEMBL4561831 0.76 FASN (0.46) FASNPKMALDH1A1KDM4EL3MBTL1
SCHEMBL4536291 0.71 MGLL (0.48) FASNPKMPKLRALDH1A1KDM4E
SCHEMBL4540449 0.70 FASN (0.56) FASN
SCHEMBL4543314 0.69 FASN (0.57) FASNPKMALDH1A1MAPTKDM4E
SCHEMBL4562502 0.68 FASN (0.56) NPC1RAB9AFASNALOX5APFEN1
SCHEMBL25372763 0.67 CNR1 (0.44) CNR1NPC1RAB9ACCR1PKM
SCHEMBL4561941 0.66 FASN (0.55) NPC1RAB9AFASNALOX5APFEN1
SCHEMBL22235278 0.66 FASN (0.51) NPC1RAB9AFASNALOX5APFEN1

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