SCHEMBL6233400

SCHEMBL6233400

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 12/20 0.44
CTSS P25774 11/20 0.44
CTSB P07858 11/20 0.44
CTSK P43235 11/20 0.44
MAPKAPK2 P49137 2/20 0.35
ACVR1 Q04771 2/20 0.35

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
SCHEMBL4703494 1.00 CTSL (0.44) CTSLCTSSCTSBCTSKMAPKAPK2
SCHEMBL4699903 0.90 TGFBR1 (0.34) CTSLCTSSCTSBCTSKACVR1
SCHEMBL4700298 0.86 CTSK (0.42) CTSLCTSSCTSBCTSKMAPKAPK2
SCHEMBL4699478 0.85 CTSL (0.45) CTSLCTSSCTSBCTSKMAPKAPK2
SCHEMBL4701886 0.85 CTSS (0.47) CTSSCTSK
SCHEMBL6233404 0.83 CTSL (0.44) CTSLCTSSCTSBCTSKMAPKAPK2
SCHEMBL6233398 0.83 CTSL (0.44) CTSLCTSSCTSBCTSKMAPKAPK2
SCHEMBL4698928 0.81 CTSL (0.43) CTSLCTSSCTSBCTSKMAPKAPK2
SCHEMBL4699762 0.81 CTSL (0.43) CTSLCTSSCTSBCTSKMAPKAPK2
SCHEMBL5872541 0.81 CTSL (0.43) 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