SCHEMBL13619273

SCHEMBL13619273

CC(C)(F)c1ccc2c(n1)CN(C(=O)c1cc(S(C)(=O)=O)ccc1-c1ccccc1)C2

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.56
KCNH2 Q12809 2/20 0.53
SLC6A5 Q9Y345 1/20 0.51

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
SCHEMBL8261794 0.94 SLC6A9 (0.56) SLC6A9KCNH2SLC6A5
SCHEMBL3874149 0.93 SLC6A9 (0.64) SLC6A9KCNH2SLC6A5
SCHEMBL1382988 0.85 SLC6A9 (0.58) SLC6A9KCNH2SLC6A5
SCHEMBL1462234 0.84 SLC6A9 (0.58) SLC6A9KCNH2SLC6A5
SCHEMBL3946327 0.81 SLC6A9 (0.79) SLC6A9KCNH2SLC6A5
SCHEMBL3872951 0.80 SLC6A9 (0.64) SLC6A9KCNH2SLC6A5
SCHEMBL3886404 0.77 SLC6A9 (0.54) SLC6A9KCNH2SLC6A5
SCHEMBL1379673 0.76 SLC6A9 (0.66) SLC6A9KCNH2SLC6A5
SCHEMBL8261789 0.74 SLC6A9 (0.74) SLC6A9KCNH2
SCHEMBL17214308 0.73 SLC6A9 (0.67) 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-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed