SCHEMBL3796016

SCHEMBL3796016

CC1[CH]CC(c2ccc(-c3ccc4c(c3)N(C(=O)Nc3ccccc3)CCN4)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 19/20 0.61
SOAT2 O75908 4/20 0.46
CYP2C9 P11712 1/20 0.45
SOAT1 P35610 1/20 0.45
DGAT2 Q96PD7 1/20 0.45

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
SCHEMBL13190418 0.85 DGAT1 (0.67) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL463282 0.83 DGAT1 (0.86) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL463281 0.83 DGAT1 (0.86) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL384294 0.82 DGAT1 (0.73) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL384295 0.82 DGAT1 (0.73) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL13190485 0.78 DGAT1 (0.78) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL10267049 0.76 DGAT1 (1.00) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL383972 0.75 DGAT1 (0.84) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL383971 0.75 DGAT1 (0.84) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL10197349 0.69 DGAT1 (0.65) DGAT1SOAT2CYP2C9SOAT1DGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010107768-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-09-23 WO disclosed