SCHEMBL1968005

SCHEMBL1968005

O=C(O)CC1CCN(c2ccc(C(=O)NC3CCCCC3)c(SC3CCCC3)n2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 1.00
IDH1 O75874 11/20 0.72

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
SCHEMBL1968002 1.00 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL1968153 1.00 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL1968156 1.00 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL1970359 1.00 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL3398879 0.97 HSD11B1 (0.95) HSD11B1IDH1
SCHEMBL2005640 0.95 HSD11B1 (0.91) HSD11B1IDH1
SCHEMBL1968065 0.95 HSD11B1 (0.91) HSD11B1IDH1
SCHEMBL1975255 0.95 HSD11B1 (0.91) HSD11B1IDH1
SCHEMBL13182800 0.95 HSD11B1 (0.91) HSD11B1IDH1
SCHEMBL13271395 0.91 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 8 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 claimed
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-2233480-A1 Chemical compounds AstraZeneca AB (SE) 2010-09-29 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
WO-2008053194-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-05-08 WO disclosed