SCHEMBL5038558

SCHEMBL5038558

CC(Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2cc(F)c(S(=O)(=O)C3CC3)cc2F)CC1)C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.70
KCNH2 Q12809 6/20 0.70
SLC6A5 Q9Y345 2/20 0.58

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
SCHEMBL4422136 0.92 SLC6A9 (0.67) SLC6A9KCNH2
SCHEMBL5040756 0.92 SLC6A9 (0.77) SLC6A9KCNH2SLC6A5
SCHEMBL5042061 0.90 SLC6A9 (0.77) SLC6A9KCNH2
SCHEMBL5047806 0.89 SLC6A9 (0.72) SLC6A9KCNH2SLC6A5
SCHEMBL5042367 0.88 SLC6A9 (0.58) SLC6A9KCNH2
SCHEMBL5047498 0.87 SLC6A9 (0.75) SLC6A9KCNH2
SCHEMBL5038110 0.86 SLC6A9 (0.88) SLC6A9KCNH2SLC6A5
SCHEMBL5042440 0.86 SLC6A9 (0.67) SLC6A9KCNH2
SCHEMBL4421787 0.84 SLC6A9 (0.79) SLC6A9KCNH2SLC6A5
SCHEMBL5043246 0.82 SLC6A9 (0.81) 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