SCHEMBL5041763

SCHEMBL5041763

CNS(=O)(=O)c1ccc(OC(C)C)c(C(=O)N2CCN(c3ccc(C#N)c(F)c3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 19/20 0.57
KCNH2 Q12809 6/20 0.57
SLC6A5 Q9Y345 1/20 0.44
PTGDR Q13258 1/20 0.44

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
SCHEMBL4431526 0.91 SLC6A9 (0.70) SLC6A9KCNH2SLC6A5
SCHEMBL5043126 0.90 SLC6A9 (0.59) SLC6A9KCNH2SLC6A5PTGDR
SCHEMBL4419060 0.89 SLC6A9 (0.59) SLC6A9KCNH2
SCHEMBL4426509 0.88 SLC6A9 (0.49) SLC6A9KCNH2
SCHEMBL5041881 0.87 SLC6A9 (0.67) SLC6A9KCNH2
SCHEMBL4432492 0.86 SLC6A9 (0.59) SLC6A9KCNH2
SCHEMBL5047424 0.86 SLC6A9 (0.59) SLC6A9KCNH2
SCHEMBL5043067 0.86 SLC6A9 (0.51) SLC6A9KCNH2
SCHEMBL5040975 0.86 SLC6A9 (0.59) SLC6A9KCNH2
SCHEMBL4430747 0.86 SLC6A9 (0.59) 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