SCHEMBL5041826

SCHEMBL5041826

CNS(=O)(=O)c1ccc(OCCC(F)(F)F)c(C(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3F)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.65
KCNH2 Q12809 6/20 0.63

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
SCHEMBL5041888 0.92 SLC6A9 (0.75) SLC6A9KCNH2
SCHEMBL5043384 0.90 SLC6A9 (0.66) SLC6A9KCNH2
SCHEMBL5042728 0.90 SLC6A9 (0.67) SLC6A9KCNH2
SCHEMBL5047604 0.89 SLC6A9 (0.71) SLC6A9KCNH2
SCHEMBL5047866 0.88 SLC6A9 (0.67) SLC6A9KCNH2
SCHEMBL4428956 0.88 SLC6A9 (0.72) SLC6A9KCNH2
SCHEMBL4422689 0.87 SLC6A9 (0.75) SLC6A9KCNH2
SCHEMBL5041036 0.86 SLC6A9 (0.75) SLC6A9KCNH2
SCHEMBL4431365 0.86 SLC6A9 (0.85) SLC6A9KCNH2
SCHEMBL6027232 0.86 SLC6A9 (0.62) SLC6A9KCNH2

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-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed