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SCHEMBL5047569

SCHEMBL5047569

CC(=O)c1ccc(OC(C)C)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 16/20 0.72
▸ KCNH2 Q12809 4/20 0.62
▸ SLC6A5 Q9Y345 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL4425130 0.92 SLC6A9 (0.72) SLC6A9KCNH2SLC6A5
SCHEMBL5045531 0.91 SLC6A9 (0.71) SLC6A9KCNH2SLC6A5
SCHEMBL4433605 0.90 SLC6A9 (0.70) SLC6A9KCNH2SLC6A5MAPT
SCHEMBL4433254 0.89 SLC6A9 (0.69) SLC6A9KCNH2SLC6A5
SCHEMBL27669117 0.85 SLC6A9 (0.71) SLC6A9KCNH2SLC6A5
SCHEMBL4425004 0.84 SLC6A9 (0.70) SLC6A9KCNH2SLC6A5
SCHEMBL5041803 0.84 SLC6A9 (1.00) SLC6A9KCNH2SLC6A5
SCHEMBL27669119 0.83 SLC6A9 (0.69) SLC6A9KCNH2SLC6A5
SCHEMBL4425899 0.83 SLC6A9 (0.72) SLC6A9KCNH2SLC6A5ALDH1A1SMN1; SMN2
SCHEMBL5041914 0.82 SLC6A9 (0.82) 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