SCHEMBL22894549

SCHEMBL22894549

CCCOC(=O)CCN1CCN(c2ccc(N3CCOc4ncnc(Cl)c4C3=O)cc2Cl)C1=O

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.44

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
SCHEMBL16531973 0.94 DGAT1 (0.45) DGAT1
SCHEMBL16531971 0.87 DGAT1 (0.51) DGAT1
SCHEMBL16532006 0.86 DGAT1 (0.46) DGAT1
SCHEMBL16531984 0.80 DGAT1 (0.57) DGAT1
SCHEMBL16532108 0.80 DGAT1 (0.45) DGAT1
SCHEMBL16532104 0.80 DGAT1 (0.51) DGAT1
SCHEMBL17907385 0.79 DGAT1 (0.45) DGAT1
SCHEMBL16531975 0.79 DGAT1 (0.52) DGAT1
SCHEMBL16531994 0.79 DGAT1 (0.45) DGAT1
SCHEMBL17907361 0.78 DGAT1 (0.47) 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-3042907-B1 DGAT1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF QUINGDAO HUANGHAI PHARMACEUTICAL CO LTD (CN) 2021-01-13 EP disclosed