SCHEMBL16532001

SCHEMBL16532001

CC(C)C(C(=O)O)n1cc(-c2ccc(N3CCOc4ncnc5c4C3=N5)cc2Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.43

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
SCHEMBL16532154 0.92 DGAT1 (0.38) DGAT1
SCHEMBL16531996 0.90 DGAT1 (0.44) DGAT1
SCHEMBL17907310 0.86 DGAT1 (0.60) DGAT1
SCHEMBL16532157 0.86 DGAT1 (0.38) DGAT1
SCHEMBL16532138 0.79 DGAT1 (0.61) DGAT1
SCHEMBL17907344 0.78 DGAT1 (0.56) DGAT1
SCHEMBL16532155 0.77 DGAT1 (0.41) DGAT1
SCHEMBL16532086 0.77 DGAT1 (0.40) DGAT1
SCHEMBL17907321 0.76 DGAT1 (0.61) DGAT1
SCHEMBL16532156 0.76 DGAT1 (0.40) 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
WO-2015024486-A1 DGAT1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF 南京明德新药研发股份有限公司 (CN) 2015-02-26 WO disclosed