SCHEMBL6233404

SCHEMBL6233404

CC(C)C[C@H](N)C(=O)N(CC#N)c1conc1-c1ccc(N2CCNCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.44
CTSS P25774 9/20 0.44
CTSB P07858 8/20 0.44
CTSK P43235 9/20 0.43
MAPKAPK2 P49137 7/20 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
SCHEMBL6233398 1.00 CTSL (0.44) CTSLCTSSCTSBCTSKMAPKAPK2
SCHEMBL6233400 0.83 CTSL (0.44) CTSLCTSSCTSBCTSKMAPKAPK2
SCHEMBL4703494 0.83 CTSL (0.44) CTSLCTSSCTSBCTSKMAPKAPK2
SCHEMBL6235527 0.78 CTSL (0.44) CTSLCTSSCTSBCTSKMAPKAPK2
SCHEMBL4700298 0.78 CTSK (0.42) CTSLCTSSCTSBCTSKMAPKAPK2
SCHEMBL4699903 0.73 TGFBR1 (0.34) CTSLCTSSCTSBCTSK
SCHEMBL4699637 0.72 CTSL (0.70) CTSLCTSSCTSBCTSK
SCHEMBL4702444 0.72 CTSL (0.70) CTSLCTSSCTSBCTSK
SCHEMBL4699993 0.72 CTSL (0.70) CTSLCTSSCTSBCTSK
SCHEMBL4699478 0.72 CTSL (0.45) CTSLCTSSCTSBCTSKMAPKAPK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372655-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-10-12 EP disclosed
EP-1372655-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-01-02 EP disclosed
WO-2002069901-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-09-12 WO disclosed