SCHEMBL4081932

SCHEMBL4081932

CC1(C)C(C2C3CC4CC2CC(O)(C4)C3)NC(=O)N1Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AMPD2 Q01433 1/20 0.43
HCRTR1 O43613 6/20 0.40
HCRTR2 O43614 6/20 0.40
TYRO3 Q06418 1/20 0.39
CXCR3 P49682 1/20 0.39
KCNN4 O15554 4/20 0.38
CHRM3 P20309 1/20 0.38
OPRM1 P35372 1/20 0.37
CHRM5 P08912 1/20 0.36
IDH1 O75874 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
SCHEMBL4082512 0.83 HSD11B1 (0.40) AMPD2
SCHEMBL75877 0.79 AMPD2 (0.49) AMPD2HCRTR1HCRTR2TYRO3CXCR3
SCHEMBL4088853 0.73 HSD11B1 (0.36)
SCHEMBL4078946 0.73 HSD11B1 (0.42)
SCHEMBL4089217 0.72 HSD11B1 (0.33)
SCHEMBL4082555 0.69 HSD11B1 (0.34)
SCHEMBL4084575 0.67 HSD11B1 (0.41)
SCHEMBL4083372 0.65 HSD11B1 (0.34)
SCHEMBL4082249 0.64 CTSD (0.40) TYRO3
SCHEMBL4078782 0.63 HSD11B1 (0.34)

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