SCHEMBL4045678

SCHEMBL4045678

CC(C)CC(NC(=O)Oc1cnc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.49
CTSL P07711 9/20 0.41
CTSS P25774 8/20 0.41
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
CTSB P07858 3/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PSMB5 P28074 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
SCHEMBL4042489 0.92 CTSK (0.40) CTSKCTSLCTSSGRNSORT1
SCHEMBL4041452 0.91 CTSK (0.49) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL4053835 0.88 CTSK (0.40) CTSKCTSLCTSSGRNSORT1
SCHEMBL4047044 0.85 CTSK (0.45) CTSKCTSLCTSSGRNSORT1
SCHEMBL4046943 0.85 CTSK (0.50) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL4045333 0.85 CTSK (0.53) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL4048898 0.84 CTSK (0.43) CTSKCTSLCTSSGRNSORT1
SCHEMBL4050120 0.84 CTSK (0.51) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL4050228 0.84 CTSK (0.49) CTSKCTSLCTSSCTSBKDM4E
SCHEMBL4046025 0.84 CTSK (0.49) CTSKCTSLCTSSCTSBKDM4E

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