SCHEMBL14972786

SCHEMBL14972786

CCCSc1nc(N2CCC(OC(=O)O)(C(C)C)CC2)ccc1C(=O)NC1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.69
IDH1 O75874 1/20 0.56

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
SCHEMBL3244559 0.91 HSD11B1 (0.58) HSD11B1IDH1
SCHEMBL3244996 0.90 HSD11B1 (0.73) HSD11B1IDH1
SCHEMBL2004970 0.87 HSD11B1 (0.72) HSD11B1IDH1
SCHEMBL14972842 0.86 HSD11B1 (0.72) HSD11B1IDH1
SCHEMBL14972836 0.85 HSD11B1 (0.71) HSD11B1IDH1
SCHEMBL2004950 0.85 HSD11B1 (0.75) HSD11B1IDH1
SCHEMBL14972750 0.84 HSD11B1 (0.67) HSD11B1IDH1
SCHEMBL13182706 0.84 HSD11B1 (0.83) HSD11B1IDH1
SCHEMBL26851808 0.84 HSD11B1 (0.83) HSD11B1IDH1
SCHEMBL3247505 0.83 HSD11B1 (0.79) 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 claimed