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SCHEMBL4088428

SCHEMBL4088428

COC(=O)C12CC3CC(C1)C(N1CC(C)(c4ccc(Cl)cc4)N(C)C1=O)C(C3)C2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 12/20 0.39
▸ HSD11B2 P80365 7/20 0.39
▸ SCN9A Q15858 2/20 0.36
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CCR1 P32246 1/20 0.33
▸ GPBAR1 Q8TDU6 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
SCHEMBL4089109 0.90 HSD11B1 (0.39) HSD11B1HSD11B2SCN9A
SCHEMBL77369 0.83 HSD11B1 (0.44) HSD11B1
SCHEMBL75654 0.79 HSD11B1 (0.42) HSD11B1HSD11B2
SCHEMBL75923 0.73 HSD11B1 (0.49) HSD11B1
SCHEMBL4079039 0.73 SCN9A (0.43) HSD11B1HSD11B2SCN9AMAPK1NPSR1
SCHEMBL75774 0.73 HSD11B1 (0.48) HSD11B1
SCHEMBL75902 0.72 HSD11B1 (0.39) HSD11B1HSD11B2SCN9AMAPK1NPSR1
SCHEMBL4092189 0.72 HSD11B1 (0.39) HSD11B1HSD11B2SCN9AMAPK1NPSR1
SCHEMBL4084557 0.71 SCN9A (0.39) HSD11B1HSD11B2SCN9A
SCHEMBL4083851 0.70 SCN9A (0.39) HSD11B1HSD11B2SCN9A

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