SCHEMBL4537579

SCHEMBL4537579

CCCN1CC2(CCN(S(=O)(=O)c3ccc(-c4ccc5cccnc5c4)cc3)CC2)OCC1=O

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FASN P49327 6/20 0.71
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRM5 P08912 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HTR6 P50406 2/20 0.36
HTR7 P34969 1/20 0.36
ADRB3 P13945 1/20 0.35
ADORA2B P29275 4/20 0.34
ADORA2A P29274 3/20 0.34
ADORA1 P30542 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 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
SCHEMBL4543103 0.93 FASN (0.73) FASNALDH1A1MEN1MAPK1KMT2A
SCHEMBL4540794 0.91 FASN (0.68) FASNALDH1A1MEN1MAPK1KMT2A
SCHEMBL4542033 0.89 FASN (0.77) FASNALDH1A1MEN1MAPK1KMT2A
SCHEMBL4541303 0.88 FASN (0.71) FASNALDH1A1MEN1MAPK1KMT2A
SCHEMBL4542448 0.88 FASN (0.70) FASNALDH1A1MEN1MAPK1KMT2A
SCHEMBL5019401 0.86 FASN (0.73) FASNALDH1A1MEN1MAPK1KMT2A
SCHEMBL4538689 0.85 FASN (0.67) FASNALDH1A1MEN1MAPK1KMT2A
SCHEMBL4537573 0.85 FASN (0.74) FASNALDH1A1MEN1MAPK1KMT2A
SCHEMBL4539663 0.85 FASN (0.73) FASNALDH1A1MEN1MAPK1KMT2A
SCHEMBL4540768 0.83 FASN (0.71) FASNALDH1A1MEN1MAPK1KMT2A

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