SCHEMBL4403265

SCHEMBL4403265

CCOc1ccc(NCCNC(=O)c2cn(-c3ccccc3O)nc2C(F)(F)F)cc1

nearest known ligand 0.84

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 19/20 0.84
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4289891 0.92 DGAT1 (1.00) DGAT1
SCHEMBL4414545 0.90 DGAT1 (0.69) DGAT1
SCHEMBL4416361 0.89 DGAT1 (0.68) DGAT1
SCHEMBL4417769 0.88 DGAT1 (0.69) DGAT1
SCHEMBL4410322 0.87 DGAT1 (0.65) DGAT1
SCHEMBL4405333 0.86 DGAT1 (0.85) DGAT1
SCHEMBL4403257 0.85 DGAT1 (0.63) DGAT1
SCHEMBL4404760 0.84 DGAT1 (0.77) DGAT1
SCHEMBL4293205 0.81 DGAT1 (0.81) DGAT1
SCHEMBL4406756 0.81 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