SCHEMBL14748342

SCHEMBL14748342

C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC(O)C1)C(F)(F)I

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.58
KCNH2 Q12809 3/20 0.57
SLC6A5 Q9Y345 2/20 0.53

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
SCHEMBL1813067 0.92 SLC6A9 (0.68) SLC6A9KCNH2SLC6A5
SCHEMBL3072470 0.87 SLC6A9 (0.57) SLC6A9KCNH2SLC6A5
SCHEMBL3078411 0.84 SLC6A9 (0.74) SLC6A9KCNH2SLC6A5
SCHEMBL3077428 0.84 SLC6A9 (0.74) SLC6A9KCNH2SLC6A5
SCHEMBL3077440 0.80 SLC6A9 (0.62) SLC6A9KCNH2
SCHEMBL1813164 0.80 SLC6A9 (0.65) SLC6A9KCNH2SLC6A5
SCHEMBL14683684 0.80 SLC6A9 (0.65) SLC6A9KCNH2SLC6A5
SCHEMBL8229318 0.80 SLC6A9 (0.65) SLC6A9KCNH2SLC6A5
SCHEMBL14683682 0.80 SLC6A9 (0.65) SLC6A9KCNH2SLC6A5
SCHEMBL14683711 0.79 SLC6A9 (0.64) 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-2035371-B1 SUBSTITUTED PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYT1 AND GLYT2 RECEPTOR INHIBITORS HOFFMANN LA ROCHE (CH) 2013-03-06 EP disclosed