SCHEMBL5041680

SCHEMBL5041680

CNS(=O)(=O)c1ccc(OC2CCOCC2)c(C(=O)N2CCN(c3ccc(C#N)c(F)c3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 10/20 0.61
KCNH2 Q12809 2/20 0.46
TBK1 Q9UHD2 7/20 0.45
JAK2 O60674 3/20 0.45
KMT2A Q03164 1/20 0.42
IKBKE Q14164 1/20 0.42

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
SCHEMBL4432492 0.93 SLC6A9 (0.59) SLC6A9KCNH2
SCHEMBL4430747 0.93 SLC6A9 (0.59) SLC6A9KCNH2
SCHEMBL5047741 0.91 SLC6A9 (0.72) SLC6A9KCNH2
SCHEMBL5042130 0.89 SLC6A9 (0.66) SLC6A9KCNH2TBK1JAK2KMT2A
SCHEMBL5047424 0.85 SLC6A9 (0.59) SLC6A9KCNH2
SCHEMBL5042177 0.85 SLC6A9 (0.84) SLC6A9KCNH2
SCHEMBL5045518 0.84 SLC6A9 (0.71) SLC6A9KCNH2
SCHEMBL4423806 0.84 SLC6A9 (0.71) SLC6A9KCNH2
SCHEMBL4426509 0.84 SLC6A9 (0.49) SLC6A9KCNH2
SCHEMBL5041763 0.84 SLC6A9 (0.57) 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