SCHEMBL760220

SCHEMBL760220

[2H]c1ccc(OCF)c(C(=O)NCCC2(c3ccccc3)CCN(S(=O)(=O)CCC)CC2)c1F

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.52

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
SCHEMBL760172 0.93 SLC6A9 (0.54) SLC6A9
SCHEMBL761953 0.80 SLC6A9 (0.52) SLC6A9
SCHEMBL760171 0.75 SLC6A9 (0.63) SLC6A9
SCHEMBL4282573 0.74 SLC6A9 (0.62) SLC6A9
SCHEMBL4003480 0.74 SLC6A9 (0.67) SLC6A9
SCHEMBL5584897 0.71 SLC6A9 (0.62) SLC6A9
SCHEMBL4006753 0.71 SLC6A9 (0.76) SLC6A9
SCHEMBL13032084 0.70 SLC6A9 (0.62) SLC6A9
SCHEMBL4424220 0.70 SLC6A9 (0.61) SLC6A9
SCHEMBL5585116 0.70 SLC6A9 (0.66) SLC6A9

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-1942733-B1 RADIOLABELED GLYCINE TRANSPORTER INHIBITORS MERCK SHARP & DOHME (US) 2012-03-21 EP disclosed