SCHEMBL180834

SCHEMBL180834

O=C(O)CC1CCC(c2ccc(-c3cc(Nc4ccc(C(F)(F)F)nc4)cnn3)cc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 19/20 0.80
SOAT1 P35610 2/20 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
Pradigastat SCHEMBL1289309 0.89 DGAT1 (1.00) DGAT1SOAT1
Pradigastat SCHEMBL16104874 0.89 DGAT1 (1.00) DGAT1SOAT1
Pradigastat SCHEMBL29358725 0.89 DGAT1 (1.00) DGAT1SOAT1
Pradigastat SCHEMBL180536 0.89 DGAT1 (1.00) DGAT1SOAT1
SCHEMBL181168 0.85 DGAT1 (0.81) DGAT1SOAT1
SCHEMBL181129 0.85 DGAT1 (0.75) DGAT1SOAT1
SCHEMBL31326545 0.84 DGAT1 (0.82) DGAT1SOAT1
SCHEMBL15445225 0.84 DGAT1 (0.82) DGAT1SOAT1
SCHEMBL180809 0.84 DGAT1 (0.82) DGAT1SOAT1
SCHEMBL13664086 0.84 DGAT1 (0.82) DGAT1SOAT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402319-A1 DGAT Inhibitors Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402318-A1 DGAT inhibitors Novartis AG (CH) 2012-01-04 EP disclosed