SCHEMBL16532014

SCHEMBL16532014

O=C(O)CCn1cc(-c2ccc(N3CCOc4ncnc5c4C3=N5)cc2)c(C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.46
DGAT1 O75907 18/20 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
SCHEMBL17907341 0.85 DGAT1 (0.58) DGAT1
SCHEMBL16531999 0.80 DGAT1 (0.43) DGAT1
SCHEMBL16532158 0.78 DGAT1 (0.43) DGAT1
SCHEMBL17918493 0.78 DGAT1 (0.40) DGAT1
SCHEMBL16532145 0.77 DGAT1 (0.60) DGAT1
SCHEMBL16532156 0.76 DGAT1 (0.40) DGAT1
SCHEMBL16532119 0.75 DGAT1 (0.44) DGAT1
SCHEMBL16532106 0.74 DGAT1 (0.42) DGAT1
SCHEMBL16532092 0.73 DGAT1 (0.40) DGAT1
SCHEMBL16532109 0.70 DGAT1 (0.43) 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