SCHEMBL4084134

SCHEMBL4084134

CC(C)CC1=CN(c2ccc(F)cc2F)C(=O)[N]1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPA1 O75762 1/20 0.33
OPRM1 P35372 1/20 0.33
PARK7 Q99497 1/20 0.32
MAPK14 Q16539 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR7 P34969 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
SCHEMBL4088979 0.72 L3MBTL1 (0.38) ALDH1A1L3MBTL1
SCHEMBL4088183 0.72 HCAR1 (0.39)
SCHEMBL76711 0.65 DAO (0.36) ALDH1A1GLAL3MBTL1TRPA1PARK7
SCHEMBL10387715 0.62 TRPA1 (0.35) ALDH1A1L3MBTL1TRPA1PARK7HTR1A
SCHEMBL8227727 0.62 IDO1 (0.48) ALDH1A1
SCHEMBL14600364 0.60 CA12 (0.51) ALDH1A1L3MBTL1OPRM1HTR1A
SCHEMBL5545351 0.60 PARK7 (0.34) ALDH1A1GLAL3MBTL1TRPA1PARK7
SCHEMBL8250509 0.58 DPP4 (0.50)
SCHEMBL10362487 0.58 ESR1 (0.45) ALDH1A1GLAL3MBTL1OPRM1PARK7
SCHEMBL14656750 0.57 MGLL (0.59) ALDH1A1GLAL3MBTL1PARK7

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