SCHEMBL3398864

SCHEMBL3398864

CCCSc1nc(N2CCC[C@@H](C(C)C(=O)O)C2)ccc1C(=O)NC1CCCCC1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.77
IDH1 O75874 4/20 0.67

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
SCHEMBL2004762 0.93 HSD11B1 (0.66) HSD11B1IDH1
SCHEMBL1971204 0.92 HSD11B1 (0.78) HSD11B1IDH1
SCHEMBL3401350 0.91 IDH1 (0.64) HSD11B1IDH1
SCHEMBL1970039 0.87 HSD11B1 (0.73) HSD11B1IDH1
SCHEMBL2011350 0.87 HSD11B1 (1.00) HSD11B1IDH1
SCHEMBL3404022 0.86 HSD11B1 (0.79) HSD11B1IDH1
SCHEMBL3404029 0.86 HSD11B1 (0.79) HSD11B1IDH1
SCHEMBL13182706 0.86 HSD11B1 (0.83) HSD11B1IDH1
SCHEMBL26851808 0.86 HSD11B1 (0.83) HSD11B1IDH1
SCHEMBL3404506 0.86 HSD11B1 (0.62) 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-A1 Chemical compounds AstraZeneca AB (SE) 2010-09-29 EP disclosed