SCHEMBL4039608

SCHEMBL4039608

CC(C)CC(NC(=O)Oc1cc2ccccc2s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.45
CTSL P07711 17/20 0.45
CTSS P25774 13/20 0.45
CTSB P07858 4/20 0.45
CTSV O60911 2/20 0.45

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
SCHEMBL4043984 0.92 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045875 0.91 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4048011 0.90 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4037997 0.90 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043969 0.88 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4044312 0.87 CTSK (0.40) CTSK
SCHEMBL4048045 0.87 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4042338 0.87 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041849 0.86 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4050010 0.86 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV

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