SCHEMBL8293279

SCHEMBL8293279

CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(C3(C(N)=O)CC3)cc2)cc1)C(F)(F)F)C(=O)NC1(N)CC1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.78
CTSL P07711 7/20 0.66
CTSB P07858 5/20 0.66
CTSF Q9UBX1 5/20 0.66
CTSV O60911 2/20 0.54
CTSS P25774 2/20 0.54

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
SCHEMBL8288060 0.89 CTSK (0.81) CTSKCTSLCTSBCTSFCTSV
SCHEMBL8290035 0.89 CTSK (0.65) CTSKCTSLCTSBCTSFCTSV
SCHEMBL11981467 0.86 CTSK (0.61) CTSKCTSLCTSBCTSFCTSV
SCHEMBL8433997 0.86 CTSK (0.61) CTSKCTSLCTSBCTSFCTSV
SCHEMBL8295393 0.85 CTSK (0.58) CTSKCTSLCTSBCTSFCTSV
SCHEMBL8296643 0.84 CTSK (0.58) CTSKCTSLCTSBCTSFCTSV
SCHEMBL14350320 0.84 CTSK (0.66) CTSKCTSLCTSBCTSFCTSV
SCHEMBL8295817 0.84 CTSK (0.57) CTSKCTSLCTSBCTSFCTSV
SCHEMBL11981448 0.84 CTSK (0.76) CTSKCTSLCTSBCTSFCTSV
SCHEMBL11981450 0.84 CTSK (0.76) CTSKCTSLCTSBCTSFCTSV

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
WO-2005021487-A1 CATHEPSIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2005-03-10 WO disclosed