SCHEMBL20404551

SCHEMBL20404551

CCOC(=O)/C(C)=C/c1cc(F)c(Oc2ccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)NCCOCCOCCOCCNC)cc2)c(F)c1

nearest known ligand 0.94

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SLC9A3 P48764 14/20 0.70

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
SCHEMBL2580079 0.97 SLC9A3 (0.74) SLC9A3
SCHEMBL2580080 0.97 SLC9A3 (0.74) SLC9A3
SCHEMBL16473618 0.93 SLC9A3 (0.69) SLC9A3
SCHEMBL13449818 0.93 SLC9A3 (0.69) SLC9A3
SCHEMBL13449814 0.93 SLC9A3 (0.69) SLC9A3
SCHEMBL20404648 0.92 SLC9A3 (0.71) SLC9A3
SCHEMBL24380134 0.92 SLC9A3 (0.67) SLC9A3
SCHEMBL13466643 0.91 SLC9A3 (0.67) SLC9A3
SCHEMBL13467435 0.91 SLC9A3 (0.67) SLC9A3
SCHEMBL16479090 0.90 SLC9A3 (0.66) 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
EP-3351248-A1 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) 2018-07-25 — — EP disclosed
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