SCHEMBL5043071

SCHEMBL5043071

CC(=O)c1ccc(N2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3Oc3ccc(F)cc3)CC2)c(F)c1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 19/20 0.75
GPR55 Q9Y2T6 2/20 0.56
KCNH2 Q12809 2/20 0.56
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL5047486 0.86 SLC6A9 (0.79) SLC6A9GPR55KCNH2
SCHEMBL4424473 0.85 SLC6A9 (1.00) SLC6A9KCNH2
SCHEMBL4427067 0.84 SLC6A9 (0.86) SLC6A9GPR55ALDH1A1LMNASMN1; SMN2
SCHEMBL4419029 0.83 SLC6A9 (0.76) SLC6A9KCNH2
SCHEMBL4424316 0.83 SLC6A9 (0.77) SLC6A9KCNH2
SCHEMBL5047578 0.83 SLC6A9 (0.77) SLC6A9KCNH2
SCHEMBL4433205 0.83 SLC6A9 (0.79) SLC6A9KCNH2
SCHEMBL4422118 0.83 SLC6A9 (0.76) SLC6A9KCNH2
SCHEMBL4424284 0.83 SLC6A9 (0.77) SLC6A9KCNH2
SCHEMBL3929441 0.83 SLC6A9 (0.83) SLC6A9GPR55

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