SCHEMBL4701371

SCHEMBL4701371

CC(C)C[C@@H](C(N)=O)N(CC#N)c1cscc1-c1ccc(CO)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.33
CTSB P07858 3/20 0.33
CTSS P25774 3/20 0.33
CTSK P43235 3/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PLG P00747 1/20 0.32
LGMN Q99538 1/20 0.31

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 0.83 CTSS (0.34) CTSLCTSBCTSSCTSK
SCHEMBL4701830 0.83 CTSK (0.37) CTSLCTSBCTSSCTSK
SCHEMBL4702622 0.83 FYN (0.33) CTSLCTSBCTSSCTSK
SCHEMBL4699642 0.81 CTSL (0.44) CTSLCTSBCTSSCTSK
SCHEMBL6801548 0.81 CTSS (0.35) CTSLCTSBCTSSCTSK
SCHEMBL4704688 0.81 CTSL (0.33) CTSLCTSBCTSSCTSKLGMN
SCHEMBL4704896 0.81 CTSK (0.34) CTSLCTSBCTSSCTSK
SCHEMBL4703317 0.80 HRH3 (0.35) CTSLCTSBCTSSCTSK
SCHEMBL4699887 0.80 CTSS (0.34) CTSLCTSBCTSSCTSK
SCHEMBL4704824 0.79 CTSK (0.36) CTSLCTSBCTSSCTSK

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