SCHEMBL18274657

SCHEMBL18274657

CC(C(=O)O)S(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(c2ccccn2)CC1

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.86

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
SCHEMBL3564294 0.92 SLC6A9 (1.00) SLC6A9
SCHEMBL3560627 0.89 SLC6A9 (0.93) SLC6A9
SCHEMBL3558597 0.88 SLC6A9 (1.00) SLC6A9
SCHEMBL3560048 0.88 SLC6A9 (1.00) SLC6A9
SCHEMBL8279711 0.86 SLC6A9 (0.84) SLC6A9
SCHEMBL3566818 0.85 SLC6A9 (1.00) SLC6A9
SCHEMBL3566674 0.85 SLC6A9 (0.85) SLC6A9
SCHEMBL8281365 0.85 SLC6A9 (0.82) SLC6A9
SCHEMBL3557939 0.85 SLC6A9 (1.00) SLC6A9
SCHEMBL3561480 0.84 SLC6A9 (1.00) 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-1729772-B1 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK SHARP & DOHME (US) 2016-12-07 EP claimed