Sugi Predict

Sugi Predict / Compounds / SCHEMBL1966728

SCHEMBL1966728

SCHEMBL1966728

CCCSc1nc(N2CCC(C)(C(=O)O)CC2)ccc1C(=O)NC1CCCCC1.CCCSc1nc(N2CCCC(C(=O)O)CC2)ccc1C(=O)NC1CCCCC1.CCCSc1nc(NCCC(=O)O)ccc1C(=O)NC1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 18/20 0.69
▸ IDH1 O75874 2/20 0.49

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
SCHEMBL2004950 0.86 HSD11B1 (0.75) HSD11B1IDH1
SCHEMBL2003389 0.86 HSD11B1 (0.94) HSD11B1IDH1
SCHEMBL2002344 0.83 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL2011350 0.81 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL2007008 0.81 HSD11B1 (1.00) HSD11B1
SCHEMBL1972203 0.80 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL2003532 0.79 HSD11B1 (0.71) HSD11B1IDH1
SCHEMBL3244557 0.78 HSD11B1 (0.72) HSD11B1IDH1
SCHEMBL13182706 0.78 HSD11B1 (0.83) HSD11B1IDH1
SCHEMBL26851808 0.78 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 5 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