SCHEMBL4051200

SCHEMBL4051200

CC(C)(C)CC(NC(=O)Oc1ccsc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.44
CTSL P07711 18/20 0.44
CTSS P25774 17/20 0.44
CTSB P07858 2/20 0.36
CTSV O60911 1/20 0.36

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
SCHEMBL4046503 0.93 CTSL (0.37) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4046866 0.92 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4037824 0.90 CTSK (0.36) CTSKCTSLCTSS
SCHEMBL4045469 0.90 ELANE (0.37) CTSKCTSLCTSS
SCHEMBL4042447 0.89 CTSL (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4047540 0.87 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4046102 0.86 KCNQ1 (0.38) CTSK
SCHEMBL4049243 0.86 CTSK (0.44) CTSKCTSLCTSS
SCHEMBL4044148 0.85 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4047188 0.84 CTSK (0.36) CTSK

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