SCHEMBL4078776

SCHEMBL4078776

CN1C(=O)NCC1(COCc1ccccc1)C1C2CC3CC1CC(O)(C3)C2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.41
IDH1 O75874 2/20 0.35
EPHX2 P34913 2/20 0.34
MAPK8 P45983 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4083632 0.78 HSD11B1 (0.37) HSD11B1
SCHEMBL75919 0.68 HSD11B1 (0.50) HSD11B1IDH1EPHX2
SCHEMBL704559 0.67 HSD11B1 (0.49) HSD11B1
SCHEMBL703444 0.67 HSD11B1 (0.48) HSD11B1
SCHEMBL4079302 0.67 HSD11B1 (0.48) HSD11B1
SCHEMBL4079034 0.67 HSD11B1 (0.37) HSD11B1EPHX2
SCHEMBL4078912 0.65 HSD11B1 (0.42) HSD11B1MAPK8
SCHEMBL1116573 0.65 HSD11B1 (0.43) HSD11B1IDH1EPHX2
SCHEMBL1116553 0.65 IDH1 (0.37) HSD11B1IDH1EPHX2
SCHEMBL2169056 0.65 HSD11B1 (0.46) HSD11B1IDH1

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