SCHEMBL10113205

SCHEMBL10113205

COc1nccc(C(=O)Nc2ccc(N3CCC(COc4cccc(C(=O)O)c4)CC3)nc2)n1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 18/20 0.73
SOAT1 P35610 2/20 0.70
CYP3A4 P08684 1/20 0.70
SOAT2 O75908 1/20 0.59
DGAT2 Q96PD7 1/20 0.59
NR1H4 Q96RI1 1/20 0.49

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
SCHEMBL10113466 0.89 DGAT1 (0.68) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113198 0.87 DGAT1 (0.74) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10112844 0.86 DGAT1 (0.81) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113342 0.86 DGAT1 (0.81) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113659 0.84 DGAT1 (1.00) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113195 0.84 DGAT1 (0.68) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113444 0.84 DGAT1 (0.89) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113332 0.84 DGAT1 (0.86) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10112862 0.84 DGAT1 (0.65) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113429 0.83 DGAT1 (0.91) DGAT1SOAT1CYP3A4SOAT2DGAT2

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-2012024179-A1 SUBSTITUTED AMIDE DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed