SCHEMBL460440

SCHEMBL460440

COC(=O)C[C@H]1CC[C@H](c2ccc(-c3ccc4c(c3)NCCN4)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 19/20 0.48
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SOAT1 P35610 2/20 0.39
SOAT2 O75908 2/20 0.38

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
SCHEMBL460439 1.00 DGAT1 (0.48) DGAT1KDM4EMEN1NPC1GAA
SCHEMBL463587 0.88 DGAT1 (0.44) DGAT1SOAT1SOAT2
SCHEMBL463588 0.88 DGAT1 (0.44) DGAT1SOAT1SOAT2
SCHEMBL10197577 0.80 DGAT1 (0.47) DGAT1SOAT1SOAT2
SCHEMBL10197596 0.79 DGAT1 (0.40) DGAT1SOAT1SOAT2
SCHEMBL10197621 0.78 DGAT1 (0.42) DGAT1SOAT1SOAT2
SCHEMBL902024 0.78 DGAT1 (0.43) DGAT1NPC1MAPTSOAT1
SCHEMBL383971 0.77 DGAT1 (0.84) DGAT1SOAT1SOAT2
SCHEMBL384295 0.77 DGAT1 (0.73) DGAT1SOAT1SOAT2
SCHEMBL383972 0.77 DGAT1 (0.84) 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