SCHEMBL4083858

SCHEMBL4083858

CC1(c2ccccc2Cl)CNC(=O)N1C1C2CC3CC1CC(CO)(C3)C2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.36
CYP2C9 P11712 1/20 0.36
ESR2 Q92731 1/20 0.36
HSD11B1 P28845 2/20 0.35
HSD11B2 P80365 1/20 0.35
P2RX7 Q99572 7/20 0.34
CNR2 P34972 1/20 0.34
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 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
SCHEMBL4094357 0.88 HSD11B1 (0.41) ESR1CYP2C9ESR2HSD11B1HSD11B2
SCHEMBL4082488 0.86 HSD11B1 (0.39) HSD11B1HSD11B2
SCHEMBL76006 0.78 HSD11B1 (0.37) ESR1CYP2C9ESR2HSD11B1HSD11B2
SCHEMBL4079016 0.77 HSD11B1 (0.35) ESR1CYP2C9ESR2HSD11B1HSD11B2
SCHEMBL4078831 0.74 HSD11B1 (0.39) HSD11B1HSD11B2
SCHEMBL4078865 0.72 HSD11B1 (0.45) HSD11B1HSD11B2CNR2
SCHEMBL4082564 0.70 HSD11B1 (0.44) HSD11B1
SCHEMBL4078926 0.69 HSD11B1 (0.38) HSD11B1
SCHEMBL4083825 0.69 HSD11B1 (0.38) HSD11B1
SCHEMBL4081766 0.69 HSD11B1 (0.38) HSD11B1

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