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Sugi Predict / Compounds / SCHEMBL1968356

SCHEMBL1968356

SCHEMBL1968356

CCCSc1nc([C@]2(OCC(=O)O)CCNC2)ccc1C(=O)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 18/20 0.56
▸ IDH1 O75874 1/20 0.40

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
SCHEMBL1971941 1.00 HSD11B1 (0.56) HSD11B1IDH1
SCHEMBL4451243 0.86 HSD11B1 (0.53) HSD11B1
SCHEMBL1967234 0.86 HSD11B1 (0.53) HSD11B1
SCHEMBL1968308 0.85 IDH1 (0.48) HSD11B1IDH1
SCHEMBL1969909 0.85 IDH1 (0.48) HSD11B1IDH1
SCHEMBL1972663 0.85 IDH1 (0.49) HSD11B1IDH1
SCHEMBL1968722 0.85 IDH1 (0.49) HSD11B1IDH1
SCHEMBL1973870 0.83 HSD11B1 (0.51) HSD11B1
SCHEMBL1967748 0.79 HSD11B1 (0.53) HSD11B1IDH1
SCHEMBL1972606 0.78 HSD11B1 (0.66) 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-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-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