SCHEMBL4664525

SCHEMBL4664525

CCn1c2c(c(=O)n1-c1ccc(OC)cc1)C1CCC2(C)C1(C)C

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.76
CYP3A4 P08684 4/20 0.60
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL4365071 1.00 HSD11B1 (0.76) HSD11B1CYP3A4ALDH1A1
SCHEMBL4364570 0.87 HSD11B1 (0.80) HSD11B1CYP3A4
SCHEMBL4665248 0.87 HSD11B1 (0.80) HSD11B1CYP3A4
SCHEMBL4376029 0.86 HSD11B1 (0.82) HSD11B1CYP3A4ALDH1A1
SCHEMBL4665472 0.86 HSD11B1 (0.82) HSD11B1CYP3A4ALDH1A1
SCHEMBL4664014 0.86 HSD11B1 (1.00) HSD11B1CYP3A4ALDH1A1
SCHEMBL4375535 0.85 HSD11B1 (0.78) HSD11B1CYP3A4
SCHEMBL4371690 0.85 HSD11B1 (0.78) HSD11B1CYP3A4
SCHEMBL4365106 0.81 HSD11B1 (0.73) HSD11B1CYP3A4
SCHEMBL4666590 0.77 HSD11B1 (0.74) 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