SCHEMBL4043387

SCHEMBL4043387

CC(C)CC(NC(=O)Oc1ccc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.40
CTSL P07711 9/20 0.38
CTSS P25774 7/20 0.38
CTSB P07858 4/20 0.38

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
SCHEMBL4045359 0.93 PREP (0.33) CTSKCTSLCTSSCTSB
SCHEMBL4051477 0.90 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4042329 0.85 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4043689 0.85 CTSK (0.51) CTSKCTSLCTSSCTSB
SCHEMBL4047763 0.85 CTSK (0.44) CTSKCTSLCTSSCTSB
SCHEMBL4047523 0.85 CTSK (0.39) CTSKCTSLCTSSCTSB
SCHEMBL4049409 0.84 CTSK (0.42) CTSKCTSLCTSSCTSB
SCHEMBL4041781 0.84 CTSK (0.39) CTSKCTSLCTSSCTSB
SCHEMBL4039165 0.84 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4044439 0.84 CTSK (0.41) CTSKCTSLCTSSCTSB

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