SCHEMBL4045549

SCHEMBL4045549

CCCC(NC(=O)Oc1cnc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 19/20 0.39
CTSK P43235 19/20 0.39
CTSS P25774 18/20 0.39
CTSB P07858 2/20 0.39
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
CTSV O60911 1/20 0.36

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
SCHEMBL4047044 0.92 CTSK (0.45) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4044872 0.92 CTSK (0.44) CTSLCTSKCTSSCTSBPREP
SCHEMBL4042075 0.90 PREP (0.36) CTSLCTSKCTSSCTSBPREP
SCHEMBL4042235 0.90 PREP (0.36) CTSLCTSKCTSSCTSBPREP
SCHEMBL4046666 0.89 HSD17B10 (0.36) CTSKCTSSPREPFAP
SCHEMBL4046918 0.87 PREP (0.34) CTSKPREPFAP
SCHEMBL4048133 0.86 PREP (0.34) CTSKPREPFAP
SCHEMBL4045110 0.86 PREP (0.35) CTSKCTSSCTSBPREPFAP
SCHEMBL4050283 0.86 PREP (0.35) CTSKCTSSPREPFAP
SCHEMBL4042489 0.86 CTSK (0.40) CTSLCTSKCTSSPREPFAP

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