SCHEMBL5041673

SCHEMBL5041673

CS(=O)(=O)c1ccc(OCC(F)(F)F)c(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.73
KCNH2 Q12809 7/20 0.73
SLC6A5 Q9Y345 1/20 0.60

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
SCHEMBL5047534 0.88 SLC6A9 (0.78) SLC6A9KCNH2
SCHEMBL5047808 0.88 SLC6A9 (0.77) SLC6A9KCNH2SLC6A5
SCHEMBL5038252 0.87 SLC6A9 (0.72) SLC6A9KCNH2SLC6A5
SCHEMBL5042281 0.87 SLC6A9 (0.56) SLC6A9KCNH2SLC6A5
SCHEMBL5041835 0.87 SLC6A9 (0.78) SLC6A9KCNH2SLC6A5
SCHEMBL5042823 0.85 SLC6A9 (0.70) SLC6A9KCNH2SLC6A5
SCHEMBL4425906 0.85 SLC6A9 (1.00) SLC6A9KCNH2
SCHEMBL5043465 0.84 SLC6A9 (0.81) SLC6A9KCNH2
SCHEMBL4424500 0.83 SLC6A9 (0.71) SLC6A9KCNH2SLC6A5
SCHEMBL2826955 0.83 SLC6A9 (0.66) SLC6A9KCNH2SLC6A5

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