SCHEMBL5041853

SCHEMBL5041853

CS(=O)(=O)c1ccc(OCC(F)(F)F)c(C(=O)N2CCN(c3ccc(Cl)cc3C#N)CC2)c1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.73
KCNH2 Q12809 7/20 0.73

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
SCHEMBL5045837 0.91 SLC6A9 (0.75) SLC6A9KCNH2
SCHEMBL5047958 0.88 SLC6A9 (0.76) SLC6A9KCNH2
SCHEMBL4427341 0.87 SLC6A9 (0.72) SLC6A9KCNH2
SCHEMBL5043458 0.86 SLC6A9 (0.79) SLC6A9KCNH2
SCHEMBL4430263 0.86 SLC6A9 (0.74) SLC6A9KCNH2
SCHEMBL4425906 0.85 SLC6A9 (1.00) SLC6A9KCNH2
SCHEMBL5042241 0.85 SLC6A9 (0.59) SLC6A9KCNH2
SCHEMBL4424209 0.84 SLC6A9 (0.71) SLC6A9KCNH2
SCHEMBL4426212 0.84 SLC6A9 (0.83) SLC6A9KCNH2
SCHEMBL5042339 0.83 SLC6A9 (0.71) 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