SCHEMBL4666801

SCHEMBL4666801

CC12CCC(c3c1n(C1CC1)n(-c1ccccc1)c3=O)C2(C)C

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 18/20 0.73
CYP3A4 P08684 3/20 0.66
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4377588 1.00 HSD11B1 (0.73) HSD11B1CYP3A4ALDH1A1
SCHEMBL4371965 0.87 HSD11B1 (0.81) HSD11B1CYP3A4ALDH1A1
SCHEMBL4363509 0.85 HSD11B1 (1.00) HSD11B1CYP3A4
SCHEMBL15151458 0.85 HSD11B1 (1.00) HSD11B1CYP3A4
SCHEMBL4376764 0.85 HSD11B1 (1.00) HSD11B1CYP3A4
SCHEMBL4370765 0.85 HSD11B1 (1.00) HSD11B1CYP3A4
SCHEMBL4371680 0.82 HSD11B1 (0.81) HSD11B1CYP3A4ALDH1A1
SCHEMBL4664014 0.81 HSD11B1 (1.00) HSD11B1CYP3A4ALDH1A1
SCHEMBL4367317 0.81 HSD11B1 (1.00) HSD11B1CYP3A4ALDH1A1
SCHEMBL4665257 0.80 HSD11B1 (0.79) HSD11B1CYP3A4ALDH1A1

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