SCHEMBL461754

SCHEMBL461754

O=C(O)CC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5)ccnc4c3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 19/20 1.00
SOAT1 P35610 1/20 1.00
SOAT2 O75908 4/20 0.74

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
SCHEMBL461755 1.00 DGAT1 (1.00) DGAT1SOAT1SOAT2
SCHEMBL10197659 1.00 DGAT1 (1.00) DGAT1SOAT1SOAT2
SCHEMBL10198329 0.93 DGAT1 (0.86) DGAT1SOAT1SOAT2
SCHEMBL423739 0.91 DGAT1 (0.83) DGAT1SOAT1SOAT2
SCHEMBL10197651 0.91 DGAT1 (0.83) DGAT1SOAT1SOAT2
SCHEMBL423738 0.91 DGAT1 (0.83) DGAT1SOAT1SOAT2
SCHEMBL10197337 0.91 DGAT1 (0.83) DGAT1SOAT1SOAT2
SCHEMBL409194 0.90 DGAT1 (0.82) DGAT1SOAT1SOAT2
SCHEMBL409195 0.90 DGAT1 (0.82) DGAT1SOAT1SOAT2
SCHEMBL10198031 0.90 DGAT1 (0.82) DGAT1SOAT1SOAT2

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-2408744-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2012-01-25 EP disclosed
WO-2010107768-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-09-23 WO disclosed