SCHEMBL16638251

SCHEMBL16638251

CC(=O)/C(C)=C/c1cc(F)c(Oc2ccc(S(=O)(=O)NCCOCCOCCOCCOCCOCCON)cc2)c(F)c1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SLC9A3 P48764 14/20 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
SCHEMBL13449868 0.94 SLC9A3 (0.81) SLC9A3
SCHEMBL16638250 0.92 SLC9A3 (0.70) SLC9A3
SCHEMBL16638602 0.90 SLC9A3 (0.66) SLC9A3
SCHEMBL13449813 0.89 SLC9A3 (0.73) SLC9A3
SCHEMBL2571107 0.87 SLC9A3 (0.79) SLC9A3
SCHEMBL2567272 0.87 SLC9A3 (0.79) SLC9A3
SCHEMBL2571112 0.87 SLC9A3 (0.79) SLC9A3
SCHEMBL2567275 0.87 SLC9A3 (0.79) SLC9A3
SCHEMBL20404474 0.85 SLC9A3 (0.77) SLC9A3
SCHEMBL13449819 0.85 SLC9A3 (0.95) SLC9A3

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
US-9006281-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2015-04-14 — — US disclosed
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