SCHEMBL5306102

SCHEMBL5306102

CC(=O)OC1CCC(c2ccc(NC(=O)c3nnc(Nc4cccc(C(F)(F)F)c4)o3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 18/20 0.52
SOAT1 P35610 6/20 0.52
DGAT2 Q96PD7 1/20 0.42

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
SCHEMBL4808208 0.91 DGAT1 (0.51) DGAT1SOAT1DGAT2
SCHEMBL4808228 0.91 DGAT1 (0.51) DGAT1SOAT1DGAT2
SCHEMBL4883841 0.89 DGAT1 (0.56) DGAT1SOAT1DGAT2
SCHEMBL4888740 0.89 DGAT1 (0.56) DGAT1SOAT1DGAT2
SCHEMBL3539059 0.86 DGAT1 (0.66) DGAT1SOAT1
SCHEMBL3539054 0.86 DGAT1 (0.66) DGAT1SOAT1
SCHEMBL4883330 0.85 DGAT1 (0.70) DGAT1SOAT1DGAT2
SCHEMBL4883344 0.85 DGAT1 (0.70) DGAT1SOAT1DGAT2
SCHEMBL3537176 0.84 DGAT1 (0.74) DGAT1SOAT1DGAT2
SCHEMBL3537174 0.84 DGAT1 (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed