SCHEMBL4092563

SCHEMBL4092563

COC(=O)C12CC3CC(C1)C(N1CC(Cc4cccc(F)c4)NC1=O)C(C3)C2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.39
SCN9A Q15858 2/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ADAM17 P78536 1/20 0.35
P2RX7 Q99572 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
OPRK1 P41145 2/20 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
SCHEMBL4088110 0.84 SCN9A (0.39) HSD11B1SCN9AP2RX7ALDH1A1
SCHEMBL4092189 0.83 HSD11B1 (0.39) HSD11B1SCN9AP2RX7
SCHEMBL4093078 0.76 HSD11B1 (0.48) HSD11B1
SCHEMBL4088360 0.71 HSD11B1 (0.51) HSD11B1
SCHEMBL4089235 0.69 SCN9A (0.39) HSD11B1SCN9AOPRK1
SCHEMBL4083612 0.67 SCN9A (0.39) HSD11B1SCN9AP2RX7ALDH1A1
SCHEMBL78488 0.67 HSD11B1 (0.42) HSD11B1ADAM17ALDH1A1
SCHEMBL328911 0.67 HSD11B1 (0.49) HSD11B1SCN9AALDH1A1LMNA
SCHEMBL4084557 0.66 SCN9A (0.39) HSD11B1SCN9AALDH1A1
SCHEMBL2170311 0.66 P2RX7 (0.40) HSD11B1SCN9AP2RX7ALDH1A1LMNA

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