SCHEMBL2006051

SCHEMBL2006051

CCSc1nc(N2CC[C@H](C(=O)O)C2C)ccc1C(=O)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 18/20 0.68
IDH1 O75874 2/20 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
SCHEMBL1969886 0.90 HSD11B1 (0.67) HSD11B1IDH1
SCHEMBL1969736 0.81 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL1969210 0.81 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL1969737 0.81 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL3246647 0.79 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL12571126 0.79 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL3401273 0.79 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL2011249 0.79 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL1967745 0.78 HSD11B1 (0.77) HSD11B1IDH1
SCHEMBL2007463 0.78 HSD11B1 (0.73) HSD11B1IDH1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964618-B2 2-[(3R)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]-3-piperidyl]acetic acid, for example; compounds possess human 11- beta-hydroxysteroid dehydrogenase type1 enzyme (11 beta HSD1) inhibitory activity and accordingly have value in treatment of disease states including metabolic syndrome ASTRAZENECA AB (SE) 2011-06-21 US disclosed