SCHEMBL7801025

SCHEMBL7801025

N#CC1(NC(=O)[C@H](CS(=O)(=O)Cc2cccc(F)c2F)N[C@@H](c2ccccc2)C(F)(F)F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 1.00
CTSL P07711 16/20 1.00
CTSB P07858 15/20 1.00
CTSK P43235 11/20 0.68

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
SCHEMBL3420805 0.93 CTSS (0.88) CTSSCTSLCTSBCTSK
SCHEMBL3417965 0.91 CTSS (0.84) CTSSCTSLCTSBCTSK
SCHEMBL7804134 0.87 CTSS (0.77) CTSSCTSLCTSBCTSK
SCHEMBL2821047 0.86 CTSL (0.89) CTSSCTSLCTSBCTSK
SCHEMBL2821048 0.86 CTSL (0.89) CTSSCTSLCTSBCTSK
SCHEMBL7803589 0.85 CTSS (1.00) CTSSCTSLCTSBCTSK
SCHEMBL7812607 0.85 CTSS (1.00) CTSSCTSLCTSBCTSK
SCHEMBL3418939 0.84 CTSS (0.74) CTSSCTSLCTSBCTSK
SCHEMBL1272842 0.84 CTSS (1.00) CTSSCTSLCTSBCTSK
SCHEMBL1272841 0.84 CTSS (1.00) CTSSCTSLCTSBCTSK

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-2010148488-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES MERCK FROSST CANADA LTD. (CA) 2010-12-29 WO disclosed