SCHEMBL4665472

SCHEMBL4665472

COc1ccc(-n2c(=O)c3c(n2Cc2ccccc2)C2(C)CCC3C2(C)C)cc1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.82
CYP3A4 P08684 4/20 0.82
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL4376029 1.00 HSD11B1 (0.82) HSD11B1CYP3A4ALDH1A1
SCHEMBL4375034 0.91 HSD11B1 (1.00) HSD11B1CYP3A4ALDH1A1
SCHEMBL4664185 0.91 HSD11B1 (1.00) HSD11B1CYP3A4ALDH1A1
SCHEMBL4633047 0.89 HSD11B1 (0.88) HSD11B1CYP3A4
SCHEMBL4369112 0.89 HSD11B1 (0.88) HSD11B1CYP3A4
SCHEMBL4365071 0.86 HSD11B1 (0.76) HSD11B1CYP3A4ALDH1A1
SCHEMBL4664525 0.86 HSD11B1 (0.76) HSD11B1CYP3A4ALDH1A1
SCHEMBL4363265 0.86 HSD11B1 (0.79) HSD11B1CYP3A4
SCHEMBL15151489 0.86 HSD11B1 (0.79) HSD11B1CYP3A4
SCHEMBL4662907 0.86 HSD11B1 (0.79) HSD11B1CYP3A4

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-1924563-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025892-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed