SCHEMBL4883330

SCHEMBL4883330

CC(=O)O[C@H]1CC[C@H](c2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.70
SOAT1 P35610 9/20 0.70
DGAT2 Q96PD7 1/20 0.57
ACAT1 P24752 2/20 0.48

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
SCHEMBL4883344 1.00 DGAT1 (0.70) DGAT1SOAT1DGAT2ACAT1
SCHEMBL4883841 0.89 DGAT1 (0.56) DGAT1SOAT1DGAT2
SCHEMBL4888740 0.89 DGAT1 (0.56) DGAT1SOAT1DGAT2
SCHEMBL3539741 0.86 DGAT1 (0.76) DGAT1SOAT1DGAT2ACAT1
SCHEMBL4808228 0.85 DGAT1 (0.51) DGAT1SOAT1DGAT2
SCHEMBL4808208 0.85 DGAT1 (0.51) DGAT1SOAT1DGAT2
SCHEMBL5306102 0.85 DGAT1 (0.52) DGAT1SOAT1DGAT2
SCHEMBL27775852 0.85 DGAT1 (0.83) DGAT1SOAT1DGAT2ACAT1
SCHEMBL13008971 0.85 DGAT1 (0.83) DGAT1SOAT1DGAT2ACAT1
SCHEMBL4815841 0.84 DGAT1 (0.54) 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