SCHEMBL1971707

SCHEMBL1971707

CCCSc1nc(N2CCC[C@@H](C(C)C(=O)O)C2)ccc1C(=O)N(C)C1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.55
IDH1 O75874 1/20 0.43

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
SCHEMBL2012071 0.85 HSD11B1 (0.72) HSD11B1IDH1
SCHEMBL2004762 0.85 HSD11B1 (0.66) HSD11B1IDH1
SCHEMBL2005806 0.82 HSD11B1 (0.57) HSD11B1IDH1
SCHEMBL1973320 0.82 HSD11B1 (0.57) HSD11B1IDH1
SCHEMBL1973318 0.82 HSD11B1 (0.57) HSD11B1IDH1
SCHEMBL12571470 0.82 HSD11B1 (0.60) HSD11B1IDH1
SCHEMBL3265659 0.82 HSD11B1 (0.67) HSD11B1IDH1
SCHEMBL3404506 0.81 HSD11B1 (0.62) HSD11B1IDH1
SCHEMBL2009632 0.80 HSD11B1 (0.48) HSD11B1IDH1
SCHEMBL2009631 0.80 HSD11B1 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086939-B8 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2011-06-22 EP disclosed
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