SCHEMBL4453419

SCHEMBL4453419

CCCSc1nc([C@]2(CC(=O)O)CCCNC2)ccc1C(=O)N(C)C1C2CC3CC1CC(O)(C3)C2

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.57
IDH1 O75874 2/20 0.37

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
SCHEMBL4444896 0.91 HSD11B1 (0.45) HSD11B1
SCHEMBL1969928 0.87 HSD11B1 (0.64) HSD11B1IDH1
SCHEMBL1973319 0.85 HSD11B1 (0.55) HSD11B1IDH1
SCHEMBL1975069 0.83 HSD11B1 (0.52) HSD11B1
SCHEMBL1969592 0.83 HSD11B1 (0.52) HSD11B1
SCHEMBL1972606 0.82 HSD11B1 (0.66) HSD11B1IDH1
SCHEMBL1973870 0.81 HSD11B1 (0.51) HSD11B1
SCHEMBL1968655 0.80 HSD11B1 (0.62) HSD11B1IDH1
SCHEMBL2012882 0.80 HSD11B1 (0.53) HSD11B1
SCHEMBL1968877 0.80 HSD11B1 (0.51) HSD11B1

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-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS AstraZeneca AB (SE) 2009-08-12 EP disclosed
WO-2008053194-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-05-08 WO disclosed