SCHEMBL4083736

SCHEMBL4083736

Cc1cccc(C2(C)CNC(=O)N2C2C3CC4CC2CC(O)(C4)C3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.44
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CHRND Q07001 1/20 0.37
EGFR P00533 1/20 0.34
PRKACA P17612 1/20 0.34
FRK P42685 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
NEK4 P51957 1/20 0.34
PRKCD Q05655 1/20 0.34
SLK Q9H2G2 1/20 0.34
PLK3 Q9H4B4 1/20 0.34

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
SCHEMBL4078809 0.89 CHRNA1 (0.38) HSD11B1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4082590 0.88 HSD11B1 (0.46) HSD11B1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4086632 0.88 HSD11B1 (0.45) HSD11B1CHRNA1CHRNB1CHRNB2SLC6A2
SCHEMBL4082564 0.88 HSD11B1 (0.44) HSD11B1
SCHEMBL4084138 0.87 PRMT5 (0.40) HSD11B1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4078964 0.86 HSD11B1 (0.47) HSD11B1CCR2
SCHEMBL4079142 0.84 HSD11B1 (0.38) HSD11B1SLC6A2SLC6A3
SCHEMBL4088080 0.83 CHRNA1 (0.37) HSD11B1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4078926 0.81 HSD11B1 (0.38) HSD11B1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4083825 0.81 HSD11B1 (0.38) HSD11B1CHRNA1CHRNGCHRNB1CHRNB2

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