SCHEMBL3249240

SCHEMBL3249240

CCCSc1nc(N2CCCC(OC(=O)O)CC2)ccc1C(=O)NC1CCCCC1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 18/20 0.75
IDH1 O75874 2/20 0.58

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
SCHEMBL3249719 0.97 HSD11B1 (0.78) HSD11B1IDH1
SCHEMBL3243681 0.93 HSD11B1 (0.77) HSD11B1IDH1
SCHEMBL3236442 0.92 HSD11B1 (0.76) HSD11B1IDH1
SCHEMBL2009756 0.89 HSD11B1 (0.76) HSD11B1IDH1
SCHEMBL26851808 0.88 HSD11B1 (0.83) HSD11B1IDH1
SCHEMBL13182706 0.88 HSD11B1 (0.83) HSD11B1IDH1
SCHEMBL2007264 0.88 HSD11B1 (0.75) HSD11B1IDH1
SCHEMBL2003389 0.87 HSD11B1 (0.94) HSD11B1IDH1
SCHEMBL13601754 0.86 HSD11B1 (0.84) HSD11B1IDH1
SCHEMBL2002344 0.86 HSD11B1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233480-B1 Chemical compounds ASTRAZENECA AB (SE) 2013-05-29 EP claimed
EP-2086939-B1 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2010-07-28 EP claimed