SCHEMBL4407196

SCHEMBL4407196

CCOc1ccc(C(=O)NCCn2cc(C(N)=O)c(C(F)(F)F)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.66
GLA P06280 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL4405606 0.87 DGAT1 (0.52) DGAT1NPC1RAB9AALDH1A1
SCHEMBL4299277 0.85 DGAT1 (0.73) DGAT1GLAL3MBTL1NPC1RAB9A
SCHEMBL4291949 0.83 DGAT1 (0.71) DGAT1NPC1RAB9AALDH1A1
SCHEMBL4294211 0.83 DGAT1 (0.71) DGAT1NPC1RAB9AALDH1A1
SCHEMBL4291993 0.81 DGAT1 (0.73) DGAT1GLAL3MBTL1NPC1RAB9A
SCHEMBL4296708 0.80 DGAT1 (1.00) DGAT1NPC1RAB9A
SCHEMBL4296776 0.78 DGAT1 (1.00) DGAT1
SCHEMBL4296728 0.78 DGAT1 (0.79) DGAT1
SCHEMBL4300794 0.77 DGAT1 (0.73) DGAT1NPC1RAB9AALDH1A1
SCHEMBL4297575 0.76 DGAT1 (0.82) DGAT1

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-2044055-A2 AMIDE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-04-08 EP disclosed
WO-2008011131-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed