SCHEMBL3933517

SCHEMBL3933517

CNC(=O)[C@@H]1CCN(Cc2sc(NC(C)=O)nc2CCc2ccc(NC(NC(=O)O)NC(=O)O)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 11/20 0.41
OGA O60502 9/20 0.39

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
SCHEMBL3941136 1.00 AOC3 (0.41) AOC3OGA
SCHEMBL4874830 0.95 OGA (0.45) AOC3OGA
SCHEMBL4870871 0.95 OGA (0.45) AOC3OGA
SCHEMBL5669927 0.95 OGA (0.44) AOC3OGA
SCHEMBL3931802 0.90 AOC3 (0.39) AOC3OGA
SCHEMBL3943888 0.90 AOC3 (0.39) AOC3OGA
SCHEMBL4875485 0.88 AOC3 (0.44) AOC3OGA
SCHEMBL4873154 0.87 AOC3 (0.40) AOC3OGA
SCHEMBL5545464 0.86 AOC3 (0.38) AOC3OGA
SCHEMBL5547038 0.86 AOC3 (0.38) AOC3OGA

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-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed