SCHEMBL4679936

SCHEMBL4679936

CCC[C@H](NC(c1ccc(-c2ccc(OC)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.65
CTSK P43235 11/20 0.62
CTSB P07858 4/20 0.61
CTSS P25774 4/20 0.61
CTSV O60911 1/20 0.60
CTSF Q9UBX1 1/20 0.60

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
SCHEMBL2154920 1.00 CTSL (0.65) CTSLCTSKCTSBCTSSCTSV
SCHEMBL2157177 0.92 CTSL (0.64) CTSLCTSKCTSBCTSSCTSV
SCHEMBL2154927 0.90 CTSL (0.64) CTSLCTSKCTSBCTSSCTSV
SCHEMBL2156876 0.89 CTSL (0.79) CTSLCTSKCTSBCTSSCTSV
SCHEMBL2155919 0.89 CTSL (0.68) CTSLCTSKCTSBCTSSCTSV
SCHEMBL2157024 0.89 CTSL (0.67) CTSLCTSKCTSBCTSSCTSV
SCHEMBL2155782 0.89 CTSL (0.67) CTSLCTSKCTSBCTSSCTSV
SCHEMBL2156275 0.89 CTSK (0.69) CTSLCTSKCTSBCTSSCTSV
SCHEMBL2156033 0.88 CTSL (0.66) CTSLCTSKCTSBCTSSCTSV
SCHEMBL12396647 0.87 CTSL (0.61) CTSLCTSKCTSBCTSSCTSV

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-1482924-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-05-21 EP claimed