SCHEMBL4262880

SCHEMBL4262880

O=C1NC2(Cc3ccccc3C2)CN1C1C2CC3CC1CC(C(=O)O)(C3)C2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.42
HSD11B2 P80365 4/20 0.40
CNR2 P34972 3/20 0.38
DGAT1 O75907 4/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
IDH1 O75874 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 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
SCHEMBL75243 0.85 HSD11B1 (0.47) HSD11B1
SCHEMBL4084349 0.82 CHRM3 (0.33) HSD11B1
SCHEMBL76369 0.82 CHRM3 (0.33) HSD11B1
SCHEMBL4261014 0.82 HSD11B1 (0.36) HSD11B1HSD11B2ALDH1A1
SCHEMBL4079042 0.82 ESR1 (0.39) HSD11B1HSD11B2CNR2ALDH1A1LMNA
SCHEMBL4259160 0.81 CNR2 (0.40) HSD11B1CNR2ALDH1A1KDM4ETSHR
SCHEMBL73719 0.81 CNR2 (0.40) HSD11B1CNR2ALDH1A1KDM4ETSHR
SCHEMBL4253053 0.81 CNR2 (0.40) HSD11B1CNR2ALDH1A1LMNAKDM4E
SCHEMBL75817 0.81 CNR2 (0.40) HSD11B1CNR2ALDH1A1LMNAKDM4E
SCHEMBL4255753 0.79 CNR2 (0.34) HSD11B1CNR2ALDH1A1LMNA

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