SCHEMBL4083825

SCHEMBL4083825

C[C@@]1(c2ccc(Cl)cc2)CNC(=O)N1C1C2CC3CC1CC(O)(C3)C2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.38
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRND Q07001 1/20 0.33

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
SCHEMBL4081766 1.00 HSD11B1 (0.38) HSD11B1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4078926 1.00 HSD11B1 (0.38) HSD11B1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4088681 0.89 HSD11B1 (0.43) HSD11B1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4082564 0.88 HSD11B1 (0.44) HSD11B1
SCHEMBL4078974 0.87 HSD11B1 (0.37) HSD11B1
SCHEMBL4082590 0.87 HSD11B1 (0.46) HSD11B1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4083815 0.87 HSD11B1 (0.45) HSD11B1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4088080 0.86 CHRNA1 (0.37) HSD11B1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4082249 0.83 CTSD (0.40) HSD11B1SLC6A4SLC6A3
SCHEMBL4088554 0.83 CCR2 (0.39) 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 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