SCHEMBL5042977

SCHEMBL5042977

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

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.78
KCNH2 Q12809 7/20 0.78

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
SCHEMBL4421787 0.91 SLC6A9 (0.79) SLC6A9KCNH2
SCHEMBL5043345 0.91 SLC6A9 (0.64) SLC6A9KCNH2
SCHEMBL4425011 0.89 SLC6A9 (0.79) SLC6A9KCNH2
SCHEMBL4431526 0.88 SLC6A9 (0.70) SLC6A9KCNH2
SCHEMBL4433178 0.88 SLC6A9 (0.63) SLC6A9KCNH2
SCHEMBL4430998 0.88 SLC6A9 (1.00) SLC6A9KCNH2
SCHEMBL4430539 0.88 SLC6A9 (0.63) SLC6A9KCNH2
SCHEMBL4426498 0.88 SLC6A9 (0.75) SLC6A9KCNH2
SCHEMBL5040920 0.87 SLC6A9 (0.71) SLC6A9KCNH2
SCHEMBL4421930 0.87 SLC6A9 (0.85) 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