SCHEMBL1116636

SCHEMBL1116636

O=C1N(C2C3CC4CC2CC(C(=O)O)(C4)C3)C[C@@]2(CC3CC3)CCCN12

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.38
HSD11B2 P80365 2/20 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
SCHEMBL1116561 1.00 HSD11B1 (0.38) HSD11B1HSD11B2
SCHEMBL706564 0.91 HSD11B1 (0.46) HSD11B1HSD11B2
SCHEMBL1118091 0.88 HSD11B1 (0.35) HSD11B1HSD11B2
SCHEMBL703066 0.86 HSD11B1 (0.42) HSD11B1
SCHEMBL16456994 0.82 HSD11B1 (0.34) HSD11B1
SCHEMBL1116577 0.79 HSD11B1 (0.43) HSD11B1HSD11B2
SCHEMBL708623 0.76 HSD11B1 (0.34) HSD11B1HSD11B2
SCHEMBL1116618 0.74 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL705603 0.73 HSD11B1 (0.42) HSD11B1
SCHEMBL705598 0.73 HSD11B1 (0.42) HSD11B1

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-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