SCHEMBL7801028

SCHEMBL7801028

N#CC1(NC(=O)[C@H](CS(=O)(=O)Cc2c(Cl)cccc2Cl)N[C@@H](c2cccc(F)c2)C(F)(F)F)CC1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.74
CTSB P07858 16/20 0.74
CTSL P07711 15/20 0.74
CTSK P43235 12/20 0.74

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
SCHEMBL3419203 0.92 CTSS (0.62) CTSSCTSBCTSLCTSK
SCHEMBL7806062 0.92 CTSS (0.72) CTSSCTSBCTSLCTSK
SCHEMBL1271709 0.92 CTSS (0.84) CTSSCTSBCTSLCTSK
SCHEMBL7808915 0.85 CTSS (1.00) CTSSCTSBCTSLCTSK
SCHEMBL1273164 0.85 CTSS (0.82) CTSSCTSBCTSLCTSK
SCHEMBL1273163 0.85 CTSS (0.82) CTSSCTSBCTSLCTSK
SCHEMBL1272842 0.83 CTSS (1.00) CTSSCTSBCTSLCTSK
SCHEMBL1272841 0.83 CTSS (1.00) CTSSCTSBCTSLCTSK
SCHEMBL1271582 0.82 CTSS (0.79) CTSSCTSBCTSLCTSK
SCHEMBL1271584 0.82 CTSS (0.79) CTSSCTSBCTSLCTSK

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