SCHEMBL1968902

SCHEMBL1968902

Cc1nc([C@]2(CC(=O)O)CCCNC2)ccc1C(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.40
CNR1 P21554 6/20 0.40
F12 P00748 1/20 0.39
HSD11B1 P28845 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FAAH O00519 2/20 0.38
PDE4A P27815 1/20 0.37
HSD17B3 P37058 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 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
SCHEMBL1969635 0.86 HSD11B1 (0.39) CNR2CNR1HSD11B1ALDH1A1
SCHEMBL2012882 0.85 HSD11B1 (0.53) CNR2HSD11B1PDE4AHSD17B3PDE4B
SCHEMBL1970498 0.82 HSD11B1 (0.41) CNR2CNR1F12HSD11B1KDM4E
SCHEMBL1973706 0.73 HSD11B1 (0.46) HSD11B1
SCHEMBL1973941 0.72 HSD11B1 (0.52) CNR2CNR1HSD11B1
SCHEMBL1973870 0.71 HSD11B1 (0.51) HSD11B1
SCHEMBL1983418 0.71 HSD11B1 (0.59) HSD11B1
SCHEMBL2012099 0.70 CNR1 (0.51) CNR2CNR1F12KDM4EALDH1A1
SCHEMBL1969928 0.70 HSD11B1 (0.64) HSD11B1
SCHEMBL1968609 0.70 HSD11B1 (0.57) 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 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