SCHEMBL1971689

SCHEMBL1971689

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

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 14/20 0.44
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30
IDH1 O75874 1/20 0.30

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
SCHEMBL1973319 0.91 HSD11B1 (0.55) HSD11B1IDH1
SCHEMBL4444896 0.86 HSD11B1 (0.45) HSD11B1
SCHEMBL1969216 0.77 HSD11B1 (0.56) HSD11B1
SCHEMBL1969219 0.77 HSD11B1 (0.56) HSD11B1
SCHEMBL12571429 0.77 HSD11B1 (0.56) HSD11B1
SCHEMBL4453419 0.77 HSD11B1 (0.57) HSD11B1IDH1
SCHEMBL2009631 0.74 HSD11B1 (0.48) HSD11B1IDH1
SCHEMBL2009632 0.74 HSD11B1 (0.48) HSD11B1IDH1
SCHEMBL2008046 0.71 HSD11B1 (0.61) HSD11B1IDH1
SCHEMBL12571420 0.71 HSD11B1 (0.61) 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 1 patent. 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