SCHEMBL1969323

SCHEMBL1969323

CCCSc1nc(N2CCC(C3(C(=O)O)CC3)CC2I)ccc1C(=O)NC1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.71
IDH1 O75874 1/20 0.47

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
SCHEMBL2007155 0.87 HSD11B1 (0.83) HSD11B1IDH1
SCHEMBL1973702 0.84 HSD11B1 (0.79) HSD11B1IDH1
SCHEMBL1977864 0.83 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL1971419 0.81 HSD11B1 (0.95) HSD11B1IDH1
SCHEMBL1977837 0.79 HSD11B1 (0.71) HSD11B1IDH1
SCHEMBL2004950 0.78 HSD11B1 (0.75) HSD11B1IDH1
SCHEMBL1968738 0.78 HSD11B1 (0.96) HSD11B1IDH1
SCHEMBL2007969 0.78 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL1968739 0.78 HSD11B1 (0.96) HSD11B1IDH1
SCHEMBL26851808 0.77 HSD11B1 (0.83) 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 3 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
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