SCHEMBL4046471

SCHEMBL4046471

CC(C)CC(NC(=O)Oc1cc2sccc2s1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.47
CTSL P07711 8/20 0.40
CTSS P25774 7/20 0.40
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CTSB P07858 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GPR139 Q6DWJ6 1/20 0.32

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
SCHEMBL4041899 0.92 CTSK (0.39) CTSKCTSLCTSS
SCHEMBL4044727 0.92 CTSK (0.38) CTSKCTSLCTSS
SCHEMBL4046025 0.91 CTSK (0.49) CTSKCTSLCTSSKDM4EALDH1A1
SCHEMBL4040702 0.90 CTSK (0.38) CTSKCTSLCTSSCTSB
SCHEMBL4044546 0.89 CTSK (0.39) CTSKCTSLCTSSKDM4EALDH1A1
SCHEMBL4050120 0.88 CTSK (0.51) CTSKCTSLCTSSKDM4EALDH1A1
SCHEMBL4045875 0.86 CTSK (0.41) CTSKCTSLCTSSCTSB
SCHEMBL4045748 0.85 CTSK (0.51) CTSKCTSLCTSSKDM4EALDH1A1
SCHEMBL4046026 0.85 CTSK (0.51) CTSKCTSLCTSSKDM4EALDH1A1
SCHEMBL4042251 0.85 CTSK (0.50) CTSKCTSLCTSSKDM4EALDH1A1

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