SCHEMBL6239196

SCHEMBL6239196

N#CCNC(=O)C1(NC2(N3CCNCC3)C=CC(c3ccccc3)C=C2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSB P07858 15/20 0.50
CTSL P07711 14/20 0.50
CTSK P43235 5/20 0.48
CTSS P25774 13/20 0.47

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
SCHEMBL6239203 0.74 CTSB (0.47) CTSBCTSLCTSKCTSS
SCHEMBL6234521 0.71 CTSL (0.35) CTSBCTSLCTSKCTSS
SCHEMBL6234426 0.71 CTSL (0.43) CTSBCTSLCTSKCTSS
SCHEMBL6233748 0.67 CTSL (0.58) CTSBCTSLCTSKCTSS
SCHEMBL4576245 0.66 CTSL (0.94) CTSBCTSLCTSKCTSS
SCHEMBL4699742 0.66 CTSL (0.67) CTSBCTSLCTSKCTSS
SCHEMBL4698845 0.66 CTSL (0.75) CTSBCTSLCTSKCTSS
SCHEMBL4576474 0.64 CTSL (0.66) CTSBCTSLCTSKCTSS
SCHEMBL4699482 0.64 CTSL (0.68) CTSBCTSLCTSKCTSS
SCHEMBL6183662 0.62 CTSB (1.00) CTSBCTSLCTSKCTSS

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