SCHEMBL4079102

SCHEMBL4079102

CCC1(c2ccccc2)CNC(=O)N1C1C2CC3CC1CC(O)(C3)C2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.44
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
APEX1 P27695 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4078912 0.88 HSD11B1 (0.42) HSD11B1
SCHEMBL4082564 0.83 HSD11B1 (0.44) HSD11B1
SCHEMBL4079302 0.77 HSD11B1 (0.48) HSD11B1TSHR
SCHEMBL4083698 0.75 HSD11B1 (0.40) HSD11B1
SCHEMBL1574202 0.74 HSD11B1 (0.42) HSD11B1
SCHEMBL4079023 0.74 HSD11B1 (0.42) HSD11B1
SCHEMBL4083736 0.74 HSD11B1 (0.44) HSD11B1
SCHEMBL4078809 0.74 CHRNA1 (0.38) HSD11B1
SCHEMBL75413 0.73 HSD11B1 (0.49) HSD11B1
SCHEMBL4086632 0.73 HSD11B1 (0.45) 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 4 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 claimed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO claimed
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