SCHEMBL4046918

SCHEMBL4046918

CCCC(NC(=O)Oc1cnc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.34
FAP Q12884 2/20 0.34
P2RY12 Q9H244 1/20 0.34
CTSK P43235 2/20 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
SCHEMBL4046622 0.93 CTSK (0.40) P2RY12CTSK
SCHEMBL4049444 0.91 PREP (0.33) PREPFAPP2RY12CTSK
SCHEMBL4048133 0.90 PREP (0.34) PREPFAPCTSK
SCHEMBL4046666 0.90 HSD17B10 (0.36) PREPFAPCTSK
SCHEMBL4045549 0.87 CTSL (0.39) PREPFAPCTSK
SCHEMBL4044695 0.85 CTSK (0.36) P2RY12CTSK
SCHEMBL4045249 0.85 CTSK (0.36) P2RY12CTSK
SCHEMBL4042235 0.84 PREP (0.36) PREPFAPCTSK
SCHEMBL4042075 0.84 PREP (0.36) PREPFAPCTSK
SCHEMBL4051477 0.84 CTSK (0.40) CTSK

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