SCHEMBL4410737

SCHEMBL4410737

CCOc1ccc(NCCNC(=O)c2cn(CC3CCCCO3)nc2C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.57
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.43
KLKB1 P03952 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4297548 0.93 DGAT1 (0.67) DGAT1HPGDSMN1; SMN2L3MBTL1
SCHEMBL4296723 0.90 DGAT1 (0.65) DGAT1HPGDSMN1; SMN2L3MBTL1KDM4E
SCHEMBL4406300 0.81 DGAT1 (0.83) DGAT1HPGDKLKB1
SCHEMBL4404070 0.81 DGAT1 (0.85) DGAT1SMN1; SMN2
SCHEMBL4407201 0.79 DGAT1 (0.68) DGAT1HPGDKLKB1
SCHEMBL4406756 0.78 DGAT1 (0.84) DGAT1KLKB1
SCHEMBL4291993 0.77 DGAT1 (0.73) DGAT1SMN1; SMN2L3MBTL1
SCHEMBL4417769 0.75 DGAT1 (0.69) DGAT1
SCHEMBL4296854 0.73 DGAT1 (0.98) DGAT1L3MBTL1ALDH1A1
SCHEMBL4404760 0.73 DGAT1 (0.77) 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