SCHEMBL5417587

SCHEMBL5417587

CNS(=O)(=O)C12CC3CC(C1)C(NC(=O)C(C)(C)Oc1ccc(F)cc1Cl)C(C3)C2

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.83
HSD11B2 P80365 16/20 0.83

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
SCHEMBL1046598 0.91 HSD11B1 (1.00) HSD11B1HSD11B2
SCHEMBL19248179 0.91 HSD11B1 (1.00) HSD11B1HSD11B2
SCHEMBL1044990 0.90 HSD11B1 (1.00) HSD11B1HSD11B2
SCHEMBL1042152 0.85 HSD11B1 (0.76) HSD11B1HSD11B2
SCHEMBL1046268 0.83 HSD11B1 (0.70) HSD11B1HSD11B2
SCHEMBL1045626 0.83 HSD11B1 (0.73) HSD11B1HSD11B2
SCHEMBL1044672 0.83 HSD11B1 (0.74) HSD11B1HSD11B2
SCHEMBL1044753 0.82 HSD11B1 (0.71) HSD11B1HSD11B2
SCHEMBL2830494 0.81 HSD11B1 (0.86) HSD11B1HSD11B2
SCHEMBL1077064 0.81 HSD11B1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846363-A2 ADAMANTYL DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2007-10-24 EP disclosed
WO-2006074244-A2 ADAMANTYL DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2006-07-13 WO disclosed