SCHEMBL4401623

SCHEMBL4401623

CC(C)(C)OC(=O)Nc1nn(-c2ccccc2)cc1C(=O)NCCNCc1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.57
EPHX2 P34913 1/20 0.39
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
SCN9A Q15858 1/20 0.36
HDAC1 Q13547 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL4298673 0.89 DGAT1 (0.72) DGAT1EPHX2
SCHEMBL4305430 0.79 DGAT1 (0.79) DGAT1EPHX2
SCHEMBL4406451 0.76 DGAT1 (0.52) DGAT1EPHX2PDCD1CD274SCN9A
SCHEMBL4407981 0.74 DGAT1 (0.47) DGAT1EPHX2PDCD1CD274SCN9A
SCHEMBL4298316 0.73 DGAT1 (1.00) DGAT1EPHX2
SCHEMBL4297509 0.72 DGAT1 (0.79) DGAT1EPHX2SCN9A
SCHEMBL4300131 0.72 DGAT1 (0.81) DGAT1EPHX2
SCHEMBL4293202 0.72 DGAT1 (0.77) DGAT1EPHX2
SCHEMBL4300240 0.72 DGAT1 (0.77) DGAT1EPHX2
SCHEMBL4407117 0.71 DGAT1 (0.49) DGAT1EPHX2PDCD1CD274SCN9A

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