SCHEMBL4701830

SCHEMBL4701830

CC(C)C[C@@H](C(N)=O)N(CC#N)c1cscc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.37
CTSS P25774 9/20 0.37
CTSL P07711 10/20 0.36
CTSB P07858 7/20 0.36
ANPEP P15144 1/20 0.33
MMP1 P03956 1/20 0.33
GPR88 Q9GZN0 1/20 0.33

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
SCHEMBL4703612 0.89 CTSS (0.34) CTSKCTSSCTSLCTSB
SCHEMBL4702622 0.89 FYN (0.33) CTSKCTSSCTSLCTSBMMP1
SCHEMBL6801548 0.89 CTSS (0.35) CTSKCTSSCTSLCTSB
SCHEMBL4704896 0.86 CTSK (0.34) CTSKCTSSCTSLCTSB
SCHEMBL4704688 0.86 CTSL (0.33) CTSKCTSSCTSLCTSB
SCHEMBL4699887 0.86 CTSS (0.34) CTSKCTSSCTSLCTSB
SCHEMBL4703317 0.86 HRH3 (0.35) CTSKCTSSCTSLCTSB
SCHEMBL4703269 0.85 ATP4A (0.36) CTSKCTSSCTSLMMP1
SCHEMBL4704824 0.85 CTSK (0.36) CTSKCTSSCTSLCTSB
SCHEMBL4703639 0.85 CTSK (0.36) CTSKCTSSCTSLCTSB

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-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP disclosed