SCHEMBL596136

SCHEMBL596136

CNC1CCN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.76
SOAT2 O75908 1/20 0.58
SOAT1 P35610 1/20 0.58

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
SCHEMBL594868 0.89 DGAT1 (0.84) DGAT1SOAT2SOAT1
SCHEMBL596301 0.88 DGAT1 (0.77) DGAT1
SCHEMBL595385 0.88 DGAT1 (0.75) DGAT1SOAT2SOAT1
SCHEMBL595084 0.88 DGAT1 (0.77) DGAT1
Hydrochloric Acid SCHEMBL596010 0.87 DGAT1 (0.75) DGAT1
SCHEMBL594894 0.86 DGAT1 (0.75) DGAT1SOAT2SOAT1
Trifluoroacetic Acid SCHEMBL596350 0.86 DGAT1 (0.74) DGAT1
SCHEMBL10272338 0.86 DGAT1 (0.71) DGAT1SOAT2SOAT1
SCHEMBL28809629 0.86 DGAT1 (0.83) DGAT1SOAT2SOAT1
SCHEMBL27817685 0.85 DGAT1 (0.70) DGAT1SOAT2SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153644-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8115011-B2 (S)-3-{5-[(1-Pyridin-2-yl-3-trifluoromethyl-1H-pyrazole-4-carbonyl)-amino]-pyridin-2-ylamino}-pyrrolidine-1-carboxylic acid ethyl ester; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-8058299-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed