SCHEMBL7994460

SCHEMBL7994460

CN(C(=O)CCNC(=O)OCc1ccccc1)C(c1ccnc(F)c1)C(O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
OPRK1 P41145 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BTK Q06187 1/20 0.36
MGLL Q99685 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
TGM2 P21980 1/20 0.35
HTT P42858 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ELANE P08246 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
SCHEMBL5761752 0.78 SMN1; SMN2 (0.42) OPRK1HTT
SCHEMBL3911930 0.68 HSD17B10 (0.48) MGLLPTGDR2
SCHEMBL5201104 0.67 EPHX1 (0.40) L3MBTL1
SCHEMBL17814806 0.67 FOLH1 (0.55) FOLH1OPRK1L3MBTL1TGM2HTT
SCHEMBL5760993 0.67 PNMT (0.45) L3MBTL1
SCHEMBL1889179 0.66 HTT (0.62) FOLH1L3MBTL1TGM2HTT
SCHEMBL26293783 0.65 MGLL (0.45) MGLLPTGDR2
SCHEMBL23082858 0.64 ACP3 (0.51) L3MBTL1MGLL
SCHEMBL5206641 0.64 PNMT (0.50) OPRK1L3MBTL1
SCHEMBL13168003 0.64 KCNQ3 (0.49) MGLLTGM2

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
US-6291457-B1 SUBSTITUTED IMIDAZOLE COMPOUNDS MERCK & CO., INC. 2001-09-18 US disclosed