SCHEMBL4540780

SCHEMBL4540780

O=S(=O)(c1ccc(-c2ccc3cccnc3c2)cc1)N1CCC2(CC1)CN(C1CCC1)CCO2

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FASN P49327 5/20 0.68
CHRM5 P08912 1/20 0.41
KDM2B Q8NHM5 2/20 0.40
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE10A Q9Y233 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
GSK3B P49841 1/20 0.37
TGM2 P21980 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL4536444 0.85 FASN (0.93) FASNCHRM5KDM2BHTR7HTR6
SCHEMBL22259568 0.84 FASN (0.59) FASNCHRM5KDM2BHTR7HTR6
SCHEMBL4541971 0.81 FASN (1.00) FASNCHRM5HTR7HTR6MEN1
SCHEMBL30552767 0.81 FASN (1.00) FASNCHRM5HTR7HTR6MEN1
SCHEMBL4539747 0.79 FASN (0.89) FASNCHRM5HTR7HTR6MEN1
SCHEMBL4542033 0.78 FASN (0.77) FASNCHRM5HTR7HTR6MEN1
SCHEMBL4537573 0.77 FASN (0.74) FASNCHRM5HTR7HTR6MEN1
SCHEMBL4536291 0.76 MGLL (0.48) FASNKDM2BMEN1KMT2AALDH1A1
SCHEMBL15238380 0.76 FASN (0.73) FASNCHRM5HTR7HTR6MEN1
SCHEMBL4540768 0.76 FASN (0.71) FASNCHRM5HTR7HTR6MEN1

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 4 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
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