SCHEMBL4084619

SCHEMBL4084619

COc1ccccc1C1(C)CNC(C2C3CC4CC2CC(O)(C4)C3)N1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.38
SIGMAR1 Q99720 2/20 0.36
JAK3 P52333 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
KMT2A Q03164 3/20 0.33
FAAH O00519 1/20 0.33
CNR2 P34972 1/20 0.33
HSD11B2 P80365 1/20 0.32
EPHX2 P34913 1/20 0.32
MEN1 O00255 2/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL4084587 0.84 HSD11B1 (0.35) HSD11B1HSD11B2
SCHEMBL4094477 0.79 CHRNA1 (0.43) SIGMAR1JAK3KMT2AFAAHCNR2
SCHEMBL75123 0.72 HSD11B1 (0.49) HSD11B1JAK3CHRM2CHRM4CHRM5
SCHEMBL4078865 0.70 HSD11B1 (0.45) HSD11B1SIGMAR1JAK3CHRM2CHRM4
SCHEMBL24287884 0.68 SIGMAR1 (0.50) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL31027152 0.62 CNR2 (0.48) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL647856 0.62 CNR2 (0.48) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL12012564 0.61 HSD11B1 (0.53) HSD11B1JAK3KMT2AHSD11B2MEN1
SCHEMBL12012576 0.61 HSD11B1 (0.53) HSD11B1JAK3KMT2AHSD11B2MEN1
SCHEMBL2170319 0.61 HSD11B1 (0.53) HSD11B1JAK3KMT2AHSD11B2MEN1

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 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