SCHEMBL4048133

SCHEMBL4048133

CCCC(NC(=O)Oc1cnc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.34
FAP Q12884 2/20 0.34
CTSK P43235 3/20 0.32

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
SCHEMBL4045359 0.91 PREP (0.33) PREPFAPCTSK
SCHEMBL4046918 0.90 PREP (0.34) PREPFAPCTSK
SCHEMBL4045549 0.86 CTSL (0.39) PREPFAPCTSK
SCHEMBL4046666 0.85 HSD17B10 (0.36) PREPFAPCTSK
SCHEMBL4049558 0.85 CTSK (0.36) CTSK
SCHEMBL4041133 0.85 CTSK (0.36) PREPFAPCTSK
SCHEMBL4048186 0.84 ALDH1A1 (0.36) PREPFAPCTSK
SCHEMBL4044424 0.84 CTSK (0.34) PREPFAPCTSK
SCHEMBL4043387 0.84 CTSK (0.40) CTSK
SCHEMBL4050225 0.84 CTSK (0.35) PREPFAPCTSK

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed