SCHEMBL4083815

SCHEMBL4083815

COc1ccc(C2(C)CNC(=O)N2C2C3CC4CC2CC(O)(C4)C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.45
PRMT5 O14744 3/20 0.38
WDR77 Q9BQA1 3/20 0.38
BACE1 P56817 4/20 0.36
CTSD P07339 3/20 0.36
BACE2 Q9Y5Z0 2/20 0.36
REN P00797 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
CNR2 P34972 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
SCHEMBL4082249 0.88 CTSD (0.40) HSD11B1BACE1CTSDBACE2
SCHEMBL4084138 0.88 PRMT5 (0.40) HSD11B1PRMT5WDR77CHRNA1CHRNG
SCHEMBL4083825 0.87 HSD11B1 (0.38) HSD11B1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4078926 0.87 HSD11B1 (0.38) HSD11B1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4081766 0.87 HSD11B1 (0.38) HSD11B1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4088681 0.87 HSD11B1 (0.43) HSD11B1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4082564 0.86 HSD11B1 (0.44) HSD11B1
SCHEMBL4079142 0.83 HSD11B1 (0.38) HSD11B1PRMT5WDR77
SCHEMBL4088080 0.82 CHRNA1 (0.37) HSD11B1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4078865 0.81 HSD11B1 (0.45) HSD11B1CNR2

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-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