SCHEMBL4047157

SCHEMBL4047157

CC(C)CNC(=O)ON1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.51
CTSS P25774 4/20 0.40
CTSL P07711 3/20 0.37
CTSB P07858 2/20 0.37
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37
CCND1 P24385 1/20 0.37
CDK2 P24941 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36

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
SCHEMBL4044918 0.92 CTSK (0.62) CTSKCTSSCTSL
SCHEMBL4045586 0.92 CTSK (0.54) CTSKCTSSCTSL
SCHEMBL4045482 0.90 CTSK (0.54) CTSKCTSSCTSLCTSBCDK4
SCHEMBL4038951 0.88 CTSK (0.57) CTSKCTSSCTSLCTSBCDK4
SCHEMBL4044791 0.88 CTSK (0.52) CTSKCTSSCTSLCTSBCDK4
SCHEMBL4040886 0.87 CTSK (0.54) CTSKCTSSCTSLCTSB
SCHEMBL4046497 0.87 CTSK (0.66) CTSKCTSSCTSL
SCHEMBL4042169 0.86 CTSK (0.67) CTSKCTSSCTSLCTSB
SCHEMBL4050121 0.86 CTSK (0.54) CTSKCTSSCTSLCTSBCDK4
SCHEMBL4045558 0.85 CTSK (0.56) CTSKCTSSCTSLCTSB

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