SCHEMBL180830

SCHEMBL180830

O=C(O)CC1CCC(c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)nc3)cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 19/20 0.76
SOAT1 P35610 3/20 0.47
SOAT2 O75908 1/20 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
SCHEMBL180999 0.89 DGAT1 (0.77) DGAT1SOAT1SOAT2
SCHEMBL13664060 0.89 DGAT1 (0.77) DGAT1SOAT1SOAT2
SCHEMBL14617022 0.89 DGAT1 (0.77) DGAT1SOAT1SOAT2
SCHEMBL180809 0.89 DGAT1 (0.82) DGAT1SOAT1
SCHEMBL14617045 0.89 DGAT1 (0.82) DGAT1SOAT1
SCHEMBL15445225 0.89 DGAT1 (0.82) DGAT1SOAT1
SCHEMBL13664086 0.89 DGAT1 (0.82) DGAT1SOAT1
SCHEMBL31326545 0.89 DGAT1 (0.82) DGAT1SOAT1
SCHEMBL181168 0.88 DGAT1 (0.81) DGAT1SOAT1
Pradigastat SCHEMBL29358725 0.86 DGAT1 (1.00) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2301923-B1 PYRIDINE DERIVATIVES AS DGAT INHIBITORS NOVARTIS AG (CH) 2016-06-08 EP disclosed
EP-2418202-B1 (4-[4-[5-(substituted amino)-pyridin-2-yl]phenyl]-cyclohexyl)-acetic acid derivatives as DGAT inhibitors NOVARTIS AG (CH) 2014-01-29 EP disclosed
CN-101415683-B Novel compounds NOVARTIS AG 2013-07-17 CN disclosed
EP-2418202-A1 New compounds Novartis AG (CH) 2012-02-15 EP disclosed
EP-2402319-A1 DGAT Inhibitors Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402320-A1 Anorectic agents Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402318-A1 DGAT inhibitors Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402317-A1 DGAT inhibitor Novartis AG (CH) 2012-01-04 EP disclosed
EP-2301923-A1 New compounds Novartis AG (CH) 2011-03-30 EP disclosed
CN-101415683-A Novel compounds NOVARTIS AG (CH) 2009-04-22 CN disclosed