SCHEMBL4084138

SCHEMBL4084138

COc1cccc(C2(C)CNC(=O)N2C2C3CC4CC2CC(O)(C4)C3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
SLC6A2 P23975 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CHRND Q07001 1/20 0.40
HSD11B1 P28845 3/20 0.39
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
GRIN2B Q13224 7/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ADAM17 P78536 1/20 0.37
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL4083815 0.88 HSD11B1 (0.45) PRMT5WDR77CHRNA1CHRNGCHRNB1
SCHEMBL4078809 0.87 CHRNA1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL4083736 0.87 HSD11B1 (0.44) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL4082590 0.86 HSD11B1 (0.46) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL4086632 0.86 HSD11B1 (0.45) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL4082564 0.85 HSD11B1 (0.44) HSD11B1
SCHEMBL4079142 0.84 HSD11B1 (0.38) PRMT5WDR77SLC6A2SLC6A3HSD11B1
SCHEMBL4078964 0.83 HSD11B1 (0.47) HSD11B1GRIN2BALDH1A1SMN1; SMN2KDM1A
SCHEMBL4088080 0.81 CHRNA1 (0.37) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL4078865 0.80 HSD11B1 (0.45) HSD11B1JAK3KMT2AFAAHCNR2

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