SCHEMBL1973941

SCHEMBL1973941

CCCCc1nc([C@]2(CC(=O)O)CCCNC2)ccc1C(=O)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.52
CNR2 P34972 8/20 0.37
CNR1 P21554 5/20 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
SCHEMBL1969400 0.86 HSD11B1 (0.51) HSD11B1CNR2CNR1
SCHEMBL1969635 0.86 HSD11B1 (0.39) HSD11B1CNR2CNR1
SCHEMBL1973870 0.84 HSD11B1 (0.51) HSD11B1
SCHEMBL1973706 0.82 HSD11B1 (0.46) HSD11B1
SCHEMBL1968452 0.81 HSD11B1 (0.47) HSD11B1CNR2CNR1
SCHEMBL1968595 0.78 HSD11B1 (0.40) HSD11B1
SCHEMBL4451243 0.78 HSD11B1 (0.53) HSD11B1
SCHEMBL1967234 0.78 HSD11B1 (0.53) HSD11B1
SCHEMBL1967748 0.78 HSD11B1 (0.53) HSD11B1
SCHEMBL1972392 0.78 HSD11B1 (0.50) HSD11B1CNR2CNR1

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