SCHEMBL4043689

SCHEMBL4043689

CC(C)CC(NC(=O)Oc1ccc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.51
CTSL P07711 17/20 0.51
CTSS P25774 13/20 0.51
CTSB P07858 4/20 0.51
CTSV O60911 2/20 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
SCHEMBL4044872 0.92 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4047044 0.91 CTSK (0.45) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045950 0.90 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4044864 0.90 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4039165 0.87 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4050010 0.86 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4051477 0.86 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4039608 0.86 CTSK (0.45) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041452 0.85 CTSK (0.49) CTSKCTSLCTSSCTSB
SCHEMBL4043387 0.85 CTSK (0.40) CTSKCTSLCTSSCTSB

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