SCHEMBL4078971

SCHEMBL4078971

CC(C)n1c(-c2ccccc2)c(C2C3CC4CC(C3)CC2C4)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
CYP3A4 P08684 1/20 0.34
CYP2B6 P20813 1/20 0.34
PGR P06401 5/20 0.33
PAX8 Q06710 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MET P08581 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4088977 0.78 DRD4 (0.44) CYP3A4ALDH1A1DRD2DRD4DRD3
SCHEMBL4088862 0.62
SCHEMBL2065514 0.61 ERCC1 (0.58) POLBCYP3A4CYP2B6PGRALDH1A1
SCHEMBL75191 0.60 DRD2 (0.49) ALDH1A1DRD2DRD4DRD3
SCHEMBL4078872 0.60 YTHDF2 (0.39)
SCHEMBL4083608 0.60 MEN1 (0.40) CYP3A4ALDH1A1
SCHEMBL4082407 0.60
SCHEMBL27602398 0.59 KDM1A (0.48) CYP3A4PAX8ALDH1A1HSD17B10
SCHEMBL12792847 0.58 POLB (0.55) POLBCYP3A4CYP2B6PGRALDH1A1
SCHEMBL12794236 0.58 POLB (0.64) POLBPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP claimed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO claimed
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed