SCHEMBL1972364

SCHEMBL1972364

COc1nc([C@]2(CC(=O)O)CCCNC2)ccc1C(=O)NC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.41
CNR1 P21554 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
IDH1 O75874 9/20 0.40
HSD11B1 P28845 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1967072 0.89 HSD11B1 (0.52) CNR2CNR1IDH1HSD11B1
SCHEMBL1970498 0.87 HSD11B1 (0.41) CNR2CNR1RAB9AHSD11B1ALDH1A1
SCHEMBL4455215 0.85 HSD11B1 (0.39) RAB9AIDH1HSD11B1ALDH1A1HPGD
SCHEMBL1975071 0.84 IDH1 (0.49) CNR2CNR1IDH1HSD11B1ALDH1A1
SCHEMBL1970096 0.83 HSD11B1 (0.51) HSD11B1
SCHEMBL1969400 0.83 HSD11B1 (0.51) CNR2CNR1IDH1HSD11B1
SCHEMBL1968067 0.82 HSD11B1 (0.51) RAB9AIDH1HSD11B1ALDH1A1
SCHEMBL1970094 0.82 MEN1 (0.48) IDH1HSD11B1
SCHEMBL1967351 0.82 HSD11B1 (0.61) HSD11B1
SCHEMBL1968323 0.81 IDH1 (0.47) CNR2CNR1IDH1HSD11B1ALDH1A1

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