SCHEMBL17907322

SCHEMBL17907322

Cc1cc(N2CCOc3ncnc(N)c3C2=O)cc(C)c1-c1cnn(C2CCN[C@@H]2C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL17907303 0.78 DGAT1 (0.59) DGAT1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17907378 0.78 DGAT1 (0.59) DGAT1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17907331 0.77 DGAT1 (0.57) DGAT1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17907344 0.70 DGAT1 (0.56) DGAT1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16532146 0.70 DGAT1 (0.56) DGAT1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16532048 0.70 DGAT1 (0.69) DGAT1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17907315 0.69 DGAT1 (0.57) DGAT1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17907308 0.69 DGAT1 (0.57) DGAT1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17907313 0.69 DGAT1 (0.54) DGAT1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17907299 0.69 DGAT1 (0.60) 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-A1 DGAT1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF Medshine Discovery Inc. (CN) 2016-07-13 EP disclosed