SCHEMBL4815841

SCHEMBL4815841

CC(=O)OC1CCC(c2ccc(NC(=O)c3nnc(Nc4ccc(OC(F)(F)F)cc4)o3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.54
SOAT1 P35610 7/20 0.54
HRH3 Q9Y5N1 1/20 0.42
EPHX2 P34913 3/20 0.41
FAAH O00519 2/20 0.41
DGAT2 Q96PD7 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL4815827 1.00 DGAT1 (0.54) DGAT1SOAT1HRH3EPHX2FAAH
SCHEMBL4808228 0.89 DGAT1 (0.51) DGAT1SOAT1DGAT2
SCHEMBL4808208 0.89 DGAT1 (0.51) DGAT1SOAT1DGAT2
SCHEMBL3545265 0.86 DGAT1 (0.66) DGAT1SOAT1HRH3
SCHEMBL3545268 0.86 DGAT1 (0.66) DGAT1SOAT1HRH3
SCHEMBL3540413 0.84 DGAT1 (0.71) DGAT1SOAT1DGAT2
SCHEMBL3540414 0.84 DGAT1 (0.71) DGAT1SOAT1DGAT2
SCHEMBL4883330 0.84 DGAT1 (0.70) DGAT1SOAT1DGAT2
SCHEMBL4883344 0.84 DGAT1 (0.70) DGAT1SOAT1DGAT2
SCHEMBL5306102 0.84 DGAT1 (0.52) DGAT1SOAT1DGAT2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008129319-A1 SALTS OF OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2008-10-30 WO disclosed