SCHEMBL13769256

SCHEMBL13769256

COC(=O)CCc1cccc(-c2ccc(-c3nc(N)c(C)nc3C)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
CNR2 P34972 1/20 0.42
HDAC1 Q13547 1/20 0.42
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
VDR P11473 1/20 0.41
PPARD Q03181 1/20 0.41
SYK P43405 4/20 0.40
DHFR P00374 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
FFAR1 O14842 3/20 0.39
PTPN1 P18031 2/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 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
SCHEMBL13769253 0.89 SYK (0.44) VDRPPARDSYKDHFRTLR7
SCHEMBL5533583 0.84 CNR2 (0.40) CNR2HDAC1AKT1AKT2SIRT2
SCHEMBL5033493 0.79 PTPN1 (0.54) SIRT2FFAR1PTPN1
SCHEMBL13769817 0.78 DGAT1 (0.52) TLR7
SCHEMBL13769816 0.78 CA12 (0.54) DHFRCDK8
SCHEMBL9456168 0.78 PTPN1 (0.55) CNR2SIRT2FFAR1PTPN1
SCHEMBL5039697 0.76 PTPN1 (0.54) CNR2SIRT2FFAR1PTPN1
SCHEMBL31103174 0.76 CNR2 (0.57) CNR2SIRT2FFAR1PTPN1
SCHEMBL5538522 0.74 DGAT1 (0.63) FFAR1
SCHEMBL21476702 0.74 FFAR1 (0.66) SIRT2FFAR1

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-2009081195-A1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 ASTRAZENECA AB (SE) 2009-07-02 WO disclosed