SCHEMBL4406300

SCHEMBL4406300

CCOc1ccc(NCCNC(=O)c2cn(C3CCCC3)nc2C(F)(F)F)cc1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.83
HPGD P15428 1/20 0.39
KLKB1 P03952 1/20 0.39

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
SCHEMBL4404070 0.99 DGAT1 (0.85) DGAT1
SCHEMBL4296854 0.92 DGAT1 (0.98) DGAT1
SCHEMBL4291530 0.91 DGAT1 (1.00) DGAT1
SCHEMBL4407201 0.90 DGAT1 (0.68) DGAT1HPGDKLKB1
SCHEMBL4296522 0.82 DGAT1 (0.80) DGAT1
SCHEMBL4410737 0.81 DGAT1 (0.57) DGAT1HPGDKLKB1
SCHEMBL4417769 0.80 DGAT1 (0.69) DGAT1
SCHEMBL4404760 0.79 DGAT1 (0.77) DGAT1
SCHEMBL4416361 0.78 DGAT1 (0.68) DGAT1
SCHEMBL4403265 0.78 DGAT1 (0.84) 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