SCHEMBL4084349

SCHEMBL4084349

NC12CC3CC(C1)C(N1CC4(Cc5ccccc5C4)NC1=O)[C@H](C3)C2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.33
CHRM2 P08172 5/20 0.33
HSD11B1 P28845 3/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 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
SCHEMBL76369 1.00 CHRM3 (0.33) CHRM3CHRM2HSD11B1GRIN2DGRIN3B
SCHEMBL75243 0.85 HSD11B1 (0.47) HSD11B1
SCHEMBL4262880 0.82 HSD11B1 (0.42) HSD11B1
SCHEMBL4079042 0.82 ESR1 (0.39) CHRM3CHRM2HSD11B1
SCHEMBL4264917 0.81 CNR2 (0.31) HSD11B1
SCHEMBL76306 0.81 CNR2 (0.31) HSD11B1
SCHEMBL4259160 0.81 CNR2 (0.40) HSD11B1
SCHEMBL73719 0.81 CNR2 (0.40) HSD11B1
SCHEMBL4255753 0.80 CNR2 (0.34) HSD11B1
SCHEMBL4253053 0.79 CNR2 (0.40) 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