SCHEMBL14972811

SCHEMBL14972811

CCCSc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC(C)C1CCCCC1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 14/20 0.79
IDH1 O75874 6/20 0.71

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
SCHEMBL2004910 0.92 HSD11B1 (0.79) HSD11B1IDH1
Azd-4017 SCHEMBL1967884 0.88 HSD11B1 (1.00) HSD11B1IDH1
Azd-4017 SCHEMBL2006589 0.88 HSD11B1 (1.00) HSD11B1IDH1
Azd-4017 SCHEMBL1967349 0.88 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL1975421 0.86 HSD11B1 (0.81) HSD11B1IDH1
SCHEMBL2010414 0.86 HSD11B1 (0.81) HSD11B1IDH1
SCHEMBL14972810 0.85 HSD11B1 (0.81) HSD11B1IDH1
SCHEMBL13601745 0.84 HSD11B1 (0.77) HSD11B1IDH1
SCHEMBL1969175 0.84 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL1971049 0.84 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233480-B1 Chemical compounds ASTRAZENECA AB (SE) 2013-05-29 EP disclosed