SCHEMBL2048869

SCHEMBL2048869

CCCSc1nc(N2CCCC(CC(=O)O)C2)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.88
IDH1 O75874 8/20 0.86

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
SCHEMBL2010612 1.00 HSD11B1 (0.88) HSD11B1IDH1
SCHEMBL12571166 1.00 HSD11B1 (0.88) HSD11B1IDH1
SCHEMBL2010609 1.00 HSD11B1 (0.88) HSD11B1IDH1
SCHEMBL1978821 0.95 HSD11B1 (0.80) HSD11B1IDH1
SCHEMBL4457993 0.95 HSD11B1 (0.80) HSD11B1IDH1
SCHEMBL1972608 0.95 HSD11B1 (0.80) HSD11B1IDH1
SCHEMBL4461153 0.95 HSD11B1 (0.80) HSD11B1IDH1
SCHEMBL12571155 0.95 HSD11B1 (0.80) HSD11B1IDH1
SCHEMBL1972545 0.95 HSD11B1 (0.80) HSD11B1IDH1
SCHEMBL1972548 0.95 HSD11B1 (0.80) 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
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
EP-2233480-A1 Chemical compounds AstraZeneca AB (SE) 2010-09-29 EP disclosed