SCHEMBL1968395

SCHEMBL1968395

CCCSc1nc(N2C[CH]CCC2)ccc1C(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 20/20 0.68
PDE4A P27815 1/20 0.51
HSD17B3 P37058 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
SIGMAR1 Q99720 1/20 0.51

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
SCHEMBL2010766 0.82 HSD11B1 (0.71) HSD11B1PDE4AHSD17B3PDE4BPDE4C
SCHEMBL2012884 0.82 HSD11B1 (0.71) HSD11B1PDE4AHSD17B3PDE4BPDE4C
SCHEMBL12571453 0.81 HSD11B1 (0.64) HSD11B1PDE4AHSD17B3PDE4BPDE4C
SCHEMBL2010290 0.81 HSD11B1 (0.66) HSD11B1PDE4AHSD17B3PDE4BPDE4C
SCHEMBL1972742 0.81 HSD11B1 (0.66) HSD11B1PDE4AHSD17B3PDE4BPDE4C
SCHEMBL3401268 0.79 HSD11B1 (0.61) HSD11B1
SCHEMBL1978231 0.78 HSD11B1 (0.64) HSD11B1PDE4AHSD17B3PDE4BPDE4C
SCHEMBL13182789 0.74 HSD11B1 (0.64) HSD11B1
SCHEMBL13182791 0.73 HSD11B1 (0.56) HSD11B1
SCHEMBL3239846 0.73 TSHR (0.48)

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 5 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 claimed
WO-2008053194-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-05-08 WO claimed
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