SCHEMBL4403553

SCHEMBL4403553

CCOc1ccc(NCCNC(=O)c2cn(-c3ccc4[nH]ccc4c3)nc2C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 19/20 0.64
KLKB1 P03952 1/20 0.43

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
SCHEMBL4297507 0.93 DGAT1 (0.76) DGAT1
SCHEMBL4404760 0.84 DGAT1 (0.77) DGAT1
SCHEMBL4417769 0.80 DGAT1 (0.69) DGAT1
SCHEMBL4296776 0.79 DGAT1 (1.00) DGAT1
SCHEMBL1647800 0.78 KDM4E (0.48) DGAT1KLKB1
SCHEMBL4403265 0.78 DGAT1 (0.84) DGAT1
SCHEMBL13611568 0.78 DGAT1 (1.00) DGAT1
SCHEMBL4405333 0.77 DGAT1 (0.85) DGAT1
SCHEMBL4414545 0.77 DGAT1 (0.69) DGAT1
SCHEMBL4416361 0.76 DGAT1 (0.68) 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