SCHEMBL6199396

SCHEMBL6199396

CN1CCNC[C@H](NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 6/20 0.51
CTSL P07711 2/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
GAA P10253 2/20 0.46
PREP P48147 2/20 0.45
HTR2C P28335 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ASAH1 Q13510 1/20 0.44

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
SCHEMBL13043801 0.84 CTSK (0.54) NAAACTSLCTSBCTSKGAA
SCHEMBL14601914 0.84 CTSK (0.54) NAAACTSLCTSBCTSKGAA
SCHEMBL13043811 0.82 CASP3 (0.53) NAAACTSLCTSBCTSKGAA
SCHEMBL14337553 0.82 CASP3 (0.53) NAAACTSLCTSBCTSKGAA
SCHEMBL10265005 0.80 CTSK (0.49) NAAACTSLCTSBCTSKGAA
SCHEMBL33525492 0.78 ALDH1A1 (0.50) NAAACTSLCTSBCTSKGAA
SCHEMBL7807134 0.77 GAA (0.44) NAAACTSLCTSBCTSKGAA
SCHEMBL7807139 0.77 GAA (0.44) NAAACTSLCTSBCTSKGAA
SCHEMBL13017770 0.75 NAAA (0.50) NAAACTSLCTSBGAAPREP
SCHEMBL12345121 0.75 NAAA (0.50) NAAACTSLCTSBGAAPREP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165532-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-01-12 EP disclosed
US-6503897-B1 N-Formylhydroxylamine derivatives; veterinary medicine; grampositive and gramnegative bacteria BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2003-01-07 US disclosed
EP-1165532-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-01-02 EP disclosed
WO-2000058294-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-10-05 WO disclosed