SCHEMBL596401

SCHEMBL596401

N[C@@H]1CCN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cn2)C1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.74
SOAT2 O75908 1/20 0.55
SOAT1 P35610 1/20 0.55

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
SCHEMBL13229409 0.91 DGAT1 (0.81) DGAT1SOAT2SOAT1
SCHEMBL2491224 0.90 DGAT1 (0.78) DGAT1SOAT2SOAT1
SCHEMBL13229422 0.89 DGAT1 (0.80) DGAT1
SCHEMBL594953 0.88 DGAT1 (0.72) DGAT1
SCHEMBL1090552 0.88 DGAT1 (0.79) DGAT1SOAT2SOAT1
SCHEMBL595918 0.88 DGAT1 (0.86) DGAT1SOAT2SOAT1
SCHEMBL13229292 0.88 DGAT1 (0.76) DGAT1
SCHEMBL13229289 0.88 DGAT1 (0.76) DGAT1
SCHEMBL13229417 0.87 DGAT1 (0.73) DGAT1SOAT2SOAT1
SCHEMBL2447634 0.87 DGAT1 (0.78) 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