SCHEMBL462604

SCHEMBL462604

COC(=O)CC1CCC(c2ccc(-c3ccc4c(c3)CCN4C(=O)N3CCCC3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 14/20 0.58
SOAT2 O75908 3/20 0.41
TRIM24 O15164 5/20 0.40
BRPF1 P55201 1/20 0.40
CYP2C9 P11712 1/20 0.40
SOAT1 P35610 1/20 0.40
DGAT2 Q96PD7 1/20 0.40

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
SCHEMBL10261211 1.00 DGAT1 (0.58) DGAT1SOAT2TRIM24BRPF1CYP2C9
SCHEMBL462605 1.00 DGAT1 (0.58) DGAT1SOAT2TRIM24BRPF1CYP2C9
SCHEMBL10197151 0.88 DGAT1 (0.69) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL10260835 0.88 DGAT1 (0.69) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL410403 0.87 DGAT1 (0.68) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL410404 0.87 DGAT1 (0.68) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL10197544 0.83 DGAT1 (0.83) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL3808969 0.83 DGAT1 (0.83) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL382918 0.83 DGAT1 (0.54) DGAT1SOAT2TRIM24
SCHEMBL382919 0.83 DGAT1 (0.54) DGAT1SOAT2TRIM24

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