SCHEMBL1967883

SCHEMBL1967883

CCCSc1nc([C@]2(CC(=O)OC)CCCNC2)ccc1C(=O)N[C@H]1C2CC3CC1C[C@@](OC(F)F)(C3)C2

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.49
IDH1 O75874 2/20 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
SCHEMBL1969584 0.96 HSD11B1 (0.51) HSD11B1IDH1
SCHEMBL1974434 0.94 HSD11B1 (0.52) HSD11B1IDH1
SCHEMBL1968229 0.90 HSD11B1 (0.53) HSD11B1
SCHEMBL1967027 0.89 HSD11B1 (0.57) HSD11B1IDH1
SCHEMBL1968655 0.89 HSD11B1 (0.62) HSD11B1IDH1
SCHEMBL1976631 0.88 HSD11B1 (0.57) HSD11B1IDH1
SCHEMBL1971321 0.87 HSD11B1 (0.44) HSD11B1IDH1
SCHEMBL1966459 0.85 HSD11B1 (0.58) HSD11B1IDH1
SCHEMBL1989187 0.85 HSD11B1 (0.41) HSD11B1IDH1
SCHEMBL1970165 0.85 HSD11B1 (0.57) 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 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