SCHEMBL17875326

SCHEMBL17875326

O=C(O)CN1CCc2cc(N3CCOc4ncnc5c4C3=N5)ccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.43
ITGB3 P05106 13/20 0.43
ITGA2B P08514 13/20 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
SCHEMBL17875325 0.88 AOC3 (0.46) DGAT1
SCHEMBL14060367 0.86 DGAT1 (0.59) DGAT1
SCHEMBL14136851 0.85 DGAT1 (0.51) DGAT1ITGB3ITGA2B
SCHEMBL16532109 0.76 DGAT1 (0.43) DGAT1
SCHEMBL17875311 0.75 DGAT1 (0.37) DGAT1
SCHEMBL14061910 0.75 DGAT1 (0.54) DGAT1
SCHEMBL16532155 0.75 DGAT1 (0.41) DGAT1
SCHEMBL17921224 0.74 DGAT1 (0.61) DGAT1
SCHEMBL16997608 0.74 DGAT1 (0.46) DGAT1ITGB3ITGA2B
SCHEMBL14136646 0.74 AOC3 (0.46) 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-2710013-B1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-06-29 EP disclosed