SCHEMBL4404070

SCHEMBL4404070

CCOc1ccc(NCCNC(=O)c2cn(C3CCCCC3)nc2C(F)(F)F)cc1

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.85
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4406300 0.99 DGAT1 (0.83) DGAT1
SCHEMBL4291530 0.92 DGAT1 (1.00) DGAT1NPC1RAB9A
SCHEMBL4296854 0.91 DGAT1 (0.98) DGAT1NPC1RAB9A
SCHEMBL4407201 0.89 DGAT1 (0.68) DGAT1
SCHEMBL4296522 0.81 DGAT1 (0.80) DGAT1NPC1RAB9A
SCHEMBL4410737 0.81 DGAT1 (0.57) DGAT1SMN1; SMN2
SCHEMBL4417769 0.79 DGAT1 (0.69) DGAT1
SCHEMBL4291993 0.79 DGAT1 (0.73) DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL4404760 0.78 DGAT1 (0.77) DGAT1
SCHEMBL4416361 0.78 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