SCHEMBL3243438

SCHEMBL3243438

CCCSc1nc(N2CCC(OC(=O)O)C2)ccc1C(=O)N[C@H]1C2CC3CC1C[C@@](O)(C3)C2

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.74
IDH1 O75874 4/20 0.63

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
SCHEMBL14972814 0.95 HSD11B1 (0.76) HSD11B1IDH1
SCHEMBL3244157 0.93 IDH1 (0.75) HSD11B1IDH1
SCHEMBL14972787 0.91 HSD11B1 (0.82) HSD11B1IDH1
SCHEMBL14972839 0.91 HSD11B1 (0.82) HSD11B1IDH1
SCHEMBL3247507 0.89 HSD11B1 (0.64) HSD11B1IDH1
SCHEMBL2006960 0.88 HSD11B1 (0.80) HSD11B1IDH1
SCHEMBL14981081 0.88 HSD11B1 (0.80) HSD11B1IDH1
SCHEMBL2006963 0.88 HSD11B1 (0.80) HSD11B1IDH1
SCHEMBL4461153 0.88 HSD11B1 (0.80) HSD11B1IDH1
SCHEMBL4457993 0.88 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
EP-2233480-B1 Chemical compounds ASTRAZENECA AB (SE) 2013-05-29 EP claimed
EP-2086939-B1 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2010-07-28 EP claimed