SCHEMBL4043247

SCHEMBL4043247

CCCC(NC(=O)Oc1oc2ccccc2c1C)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.39
CTSL P07711 18/20 0.39
CTSS P25774 13/20 0.39
CTSB P07858 3/20 0.39
CTSV O60911 2/20 0.39
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37

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
SCHEMBL4048016 0.93 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4046671 0.92 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4040090 0.90 PREP (0.36) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4040800 0.90 PREP (0.36) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4047038 0.89 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4042714 0.88 SMN1; SMN2 (0.36) CTSKCTSSPREPFAP
SCHEMBL4050441 0.86 CTSK (0.39) CTSKCTSLCTSSPREPFAP
SCHEMBL4045411 0.86 PREP (0.33) CTSKPREPFAP
SCHEMBL4044711 0.86 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4040960 0.85 PREP (0.32) CTSKPREPFAP

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