SCHEMBL16638238

SCHEMBL16638238

CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(NC(=O)NCCC(=O)C(C(=O)O)C(=O)O)cc2)C1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 12/20 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
SCHEMBL20404533 0.90 SLC9A3 (0.60) SLC9A3
SCHEMBL2580265 0.90 SLC9A3 (0.60) SLC9A3
SCHEMBL2576818 0.88 SLC9A3 (0.58) SLC9A3
SCHEMBL4030009 0.86 SLC9A3 (0.62) SLC9A3
SCHEMBL20404459 0.85 SLC9A3 (0.55) SLC9A3
SCHEMBL5629356 0.85 SLC9A3 (0.59) SLC9A3
SCHEMBL5630371 0.85 SLC9A3 (0.59) SLC9A3
SCHEMBL5628354 0.85 SLC9A3 (0.59) SLC9A3
SCHEMBL2573154 0.84 SLC9A3 (0.58) SLC9A3
SCHEMBL4034558 0.84 SLC9A3 (0.59) 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 2 patents. 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
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