SCHEMBL18106919

SCHEMBL18106919

CCN1CC2(CCN(C(C(=O)O)c3ccc(-c4ccc5cccnc5c4)cc3F)CC2)OCC1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FASN P49327 8/20 0.44
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
GSK3B P49841 1/20 0.33
ACACA Q13085 1/20 0.32
MET P08581 3/20 0.32
NPY2R P49146 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
CHRM1 P11229 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL14720347 0.93 FASN (0.44) FASNGSK3BACACAMETOPRM1
SCHEMBL14720559 0.93 FASN (0.43) FASNGSK3BACACAMETOPRM1
SCHEMBL14720219 0.87 FASN (0.45) FASNGSK3BACACAMETOPRM1
SCHEMBL14720427 0.86 FASN (0.61) FASNGSK3BACACAHSD17B1HSD17B2
SCHEMBL14720259 0.83 FASN (0.39) FASN
SCHEMBL14720149 0.82 FASN (0.38) FASN
SCHEMBL14720304 0.82 FASN (0.35) FASNKDM1A
SCHEMBL14720244 0.81 FASN (0.38) FASN
SCHEMBL15581999 0.81 FASN (0.47) FASNOPRM1CHRM1
SCHEMBL14720281 0.81 FASN (0.37) FASN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744333-B1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-10-05 EP claimed