SCHEMBL5041909

SCHEMBL5041909

CS(=O)(=O)c1ccc(OC2CCC2)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.73
KCNH2 Q12809 4/20 0.73
SLC6A5 Q9Y345 1/20 0.56

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
SCHEMBL4423414 0.98 SLC6A9 (0.73) SLC6A9KCNH2SLC6A5
SCHEMBL4433803 0.97 SLC6A9 (0.73) SLC6A9KCNH2SLC6A5
SCHEMBL4421668 0.90 SLC6A9 (0.60) SLC6A9KCNH2SLC6A5
SCHEMBL4422307 0.89 SLC6A9 (0.64) SLC6A9KCNH2SLC6A5
SCHEMBL1695465 0.88 SLC6A9 (0.60) SLC6A9KCNH2
SCHEMBL4424961 0.88 SLC6A9 (0.60) SLC6A9KCNH2
SCHEMBL5037924 0.88 SLC6A9 (0.60) SLC6A9KCNH2
SCHEMBL4420260 0.88 SLC6A9 (0.62) SLC6A9KCNH2SLC6A5
SCHEMBL5041328 0.88 SLC6A9 (0.75) SLC6A9KCNH2
SCHEMBL27648667 0.87 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