SCHEMBL5043384

SCHEMBL5043384

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

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 19/20 0.66
KCNH2 Q12809 3/20 0.53
SLC6A5 Q9Y345 3/20 0.48

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
SCHEMBL5043267 0.92 SLC6A9 (0.68) SLC6A9KCNH2SLC6A5
SCHEMBL4422689 0.91 SLC6A9 (0.75) SLC6A9KCNH2
SCHEMBL5042051 0.90 SLC6A9 (0.68) SLC6A9KCNH2SLC6A5
SCHEMBL5041826 0.90 SLC6A9 (0.65) SLC6A9KCNH2
SCHEMBL4421917 0.89 SLC6A9 (0.68) SLC6A9KCNH2SLC6A5
SCHEMBL5047604 0.87 SLC6A9 (0.71) SLC6A9KCNH2
SCHEMBL4422081 0.87 SLC6A9 (0.68) SLC6A9KCNH2SLC6A5
SCHEMBL4422132 0.86 SLC6A9 (0.83) SLC6A9KCNH2SLC6A5
SCHEMBL5047778 0.85 SLC6A9 (0.78) SLC6A9KCNH2
SCHEMBL5040871 0.84 SLC6A9 (0.82) 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