SCHEMBL6582818

SCHEMBL6582818

CC(C)C[C@H](NC(=O)OCc1ccccn1)C(=O)NC1CN(Cc2ccccc2Br)CC1=O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.57
CTSL P07711 11/20 0.57
CTSS P25774 7/20 0.54
CTSB P07858 4/20 0.51

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
SCHEMBL6580092 0.87 CTSK (0.49) CTSKCTSLCTSSCTSB
SCHEMBL6582019 0.86 CTSK (0.47) CTSKCTSLCTSSCTSB
SCHEMBL6582431 0.85 CTSK (0.53) CTSKCTSLCTSSCTSB
SCHEMBL6580343 0.82 CTSK (0.83) CTSKCTSLCTSSCTSB
SCHEMBL6580440 0.81 CTSK (0.78) CTSKCTSLCTSSCTSB
SCHEMBL6578148 0.80 CTSK (0.84) CTSKCTSLCTSSCTSB
SCHEMBL6581988 0.78 CTSK (0.83) CTSKCTSLCTSSCTSB
SCHEMBL6580052 0.77 CTSK (0.69) CTSKCTSLCTSSCTSB
SCHEMBL6580316 0.77 CTSK (0.71) CTSKCTSLCTSSCTSB
SCHEMBL6577733 0.76 CTSK (0.71) 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-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP claimed