SCHEMBL20428811

SCHEMBL20428811

COC(=O)C(C)(C)COc1cc(C)c(-c2ccc(-c3nc(OC(C)C)n(COCCS(C)(C)C)n3)c(Cl)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 19/20 0.45
AAK1 Q2M2I8 1/20 0.35

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
SCHEMBL21064830 0.92 DGAT1 (0.46) DGAT1
SCHEMBL16661035 0.91 DGAT1 (0.55) DGAT1
SCHEMBL18541130 0.91 DGAT1 (0.47) DGAT1AAK1
SCHEMBL20428641 0.90 DGAT1 (0.47) DGAT1AAK1
SCHEMBL20428585 0.85 DGAT1 (0.49) DGAT1
SCHEMBL16661230 0.83 DGAT1 (0.54) DGAT1
SCHEMBL16661196 0.83 DGAT1 (0.57) DGAT1
SCHEMBL16661011 0.81 DGAT1 (0.58) DGAT1AAK1
SCHEMBL16661367 0.81 DGAT1 (0.58) DGAT1
SCHEMBL16661212 0.81 DGAT1 (0.54) 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