SCHEMBL4094477

SCHEMBL4094477

COc1cccc(C2(C)CNC(C3C4CC5CC3CC(O)(C5)C4)N2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.43
CHRNG P07510 1/20 0.43
CHRNB1 P11230 1/20 0.43
CHRNB2 P17787 1/20 0.43
SLC6A2 P23975 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CHRND Q07001 1/20 0.43
KDM1A O60341 1/20 0.38
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FAAH O00519 1/20 0.35
CNR2 P34972 1/20 0.35
GRIN2B Q13224 6/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL4084619 0.79 HSD11B1 (0.38) JAK3MEN1KMT2AFAAHCNR2
SCHEMBL4084587 0.74 HSD11B1 (0.35)
SCHEMBL75808 0.73 HSD11B1 (0.43) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL4084138 0.71 PRMT5 (0.40) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL27549150 0.64 KDM1A (0.57) KDM1AMEN1KMT2AFAAHCNR2
SCHEMBL1169240 0.64 MEN1 (0.51) JAK1JAK3MEN1KMT2AFAAH
Hydrochloric Acid SCHEMBL31083972 0.63 OPRM1 (0.51) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL8064643 0.63 MEN1 (0.50) KDM1AMEN1KMT2AFAAHCNR2
SCHEMBL12586205 0.63 HSD11B1 (0.75) JAK1JAK3
SCHEMBL2169779 0.63 ALDH1A1 (0.43) JAK1JAK3MEN1KMT2AFAAH

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