SCHEMBL4048898

SCHEMBL4048898

CC(C)CC(NC(=O)Oc1cnc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.43
CTSL P07711 7/20 0.37
CTSS P25774 4/20 0.37
CTSB P07858 3/20 0.37
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PAX8 Q06710 1/20 0.34
POLB P06746 1/20 0.34
PSMB5 P28074 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL4045929 0.92 PREP (0.36) CTSKPAX8POLB
SCHEMBL4050866 0.92 CTSK (0.43) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL4046952 0.87 CTSK (0.39) CTSKCTSLCTSSCTSBGRN
SCHEMBL4045179 0.86 CTSK (0.44) CTSKCTSLCTSSCTSBPAX8
SCHEMBL4045083 0.86 CTSK (0.47) CTSKCTSLCTSSCTSBMMP1
SCHEMBL4048629 0.85 CTSK (0.42) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL4048929 0.85 CTSK (0.52) CTSKCTSLCTSSCTSB
SCHEMBL4039158 0.85 CTSK (0.40) CTSKCTSLCTSSCTSBGRN
SCHEMBL4050975 0.85 CTSK (0.43) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL4038998 0.84 CTSK (0.44) CTSKCTSLCTSSCTSBALDH1A1

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