SCHEMBL1116618

SCHEMBL1116618

N#Cc1ccc(OCC23CCCN2C(=O)N(C2C4CC5CC2CC(C(=O)O)(C5)C4)C3)nc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.51
HSD11B2 P80365 8/20 0.51
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
TACR3 P29371 2/20 0.34
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 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
SCHEMBL1116543 0.93 HSD11B1 (0.60) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9
SCHEMBL1116565 0.92 HSD11B1 (0.51) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9
SCHEMBL1118044 0.87 HSD11B1 (0.45) HSD11B1HSD11B2
SCHEMBL1116577 0.77 HSD11B1 (0.43) HSD11B1HSD11B2
SCHEMBL704403 0.75 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL328942 0.75 HSD11B1 (0.86) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9
SCHEMBL1116567 0.75 HSD11B1 (0.51) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9
SCHEMBL1116636 0.74 HSD11B1 (0.38) HSD11B1HSD11B2
SCHEMBL1116561 0.74 HSD11B1 (0.38) HSD11B1HSD11B2
SCHEMBL706859 0.74 HSD11B1 (0.46) HSD11B1HSD11B2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280970-B1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
EP-2280970-A1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-02-09 EP disclosed
WO-2009132986-A1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed