SCHEMBL20428688

SCHEMBL20428688

COC(=O)C(C)(C)COc1ccc(-c2c#cc(-c3nc(C4CCOCC4)c[nH]3)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 18/20 0.49
CNR2 P34972 1/20 0.35
IL2 P60568 1/20 0.34
MAP4K1 Q92918 1/20 0.34

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
SCHEMBL16660820 0.85 DGAT1 (0.62) DGAT1
SCHEMBL16660809 0.77 DGAT1 (0.61) DGAT1
SCHEMBL9940365 0.66 DGAT1 (1.00) DGAT1
SCHEMBL16660885 0.65 DGAT1 (0.67) DGAT1
SCHEMBL15293764 0.64 DGAT1 (0.57) DGAT1
SCHEMBL16661023 0.64 DGAT1 (0.59) DGAT1
SCHEMBL16661080 0.62 DGAT1 (0.62) DGAT1
SCHEMBL16660907 0.62 DGAT1 (0.60) DGAT1
SCHEMBL16660817 0.62 DGAT1 (0.69) DGAT1
SCHEMBL3881117 0.60 DGAT1 (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 EP disclosed