SCHEMBL4043145

SCHEMBL4043145

CC(C)CC(NC(=O)Oc1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.49
CTSL P07711 8/20 0.42
CTSS P25774 7/20 0.42
CTSB P07858 3/20 0.42
MAPK1 P28482 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
SCHEMBL4045035 0.93 CTSK (0.45) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4044220 0.91 CTSK (0.50) CTSKCTSLCTSSCTSB
SCHEMBL4050266 0.90 CTSK (0.52) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4049584 0.90 CTSK (0.51) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4042205 0.89 CTSK (0.48) CTSKCTSLCTSSCTSB
SCHEMBL4051325 0.89 CTSK (0.48) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4048584 0.89 CTSK (0.48) CTSKCTSLCTSSCTSB
SCHEMBL4043745 0.89 CTSK (0.63) CTSKCTSLCTSSCTSB
SCHEMBL4047621 0.89 CTSK (0.51) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4047761 0.89 CTSK (0.47) 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