SCHEMBL4051840

SCHEMBL4051840

CCCC(NC(C)=O)C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)Oc1ccc(-c2ccccc2)s1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.48
CTSL P07711 8/20 0.37
CTSS P25774 7/20 0.37
CTSB P07858 3/20 0.37
ACE2 Q9BYF1 2/20 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
SCHEMBL4049584 0.95 CTSK (0.51) CTSKCTSLCTSSCTSBACE2
SCHEMBL4039890 0.95 CTSK (0.48) CTSKCTSLCTSSCTSBACE2
SCHEMBL4047843 0.94 CTSK (0.49) CTSKCTSLCTSSCTSBACE2
SCHEMBL4047665 0.93 CTSK (0.51) CTSKCTSLCTSSCTSBACE2
SCHEMBL4045435 0.92 CTSK (0.48) CTSKCTSLCTSSCTSB
SCHEMBL4043538 0.92 CTSK (0.49) CTSKCTSLCTSSCTSBACE2
SCHEMBL4048070 0.91 CTSK (0.48) CTSKCTSLCTSSCTSB
SCHEMBL4050342 0.90 CTSK (0.47) CTSKCTSLCTSSCTSB
SCHEMBL4047203 0.90 CTSK (0.48) CTSKCTSLCTSSCTSBACE2
SCHEMBL4041987 0.90 CTSK (0.47) CTSKCTSLCTSSCTSBACE2

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