SCHEMBL7807773

SCHEMBL7807773

N#CC1(NC(=O)[C@H](CS(=O)(=O)c2ccc(F)cc2)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 1.00
CTSB P07858 14/20 1.00
CTSL P07711 14/20 1.00
CTSK P43235 11/20 1.00

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
SCHEMBL1273076 0.95 CTSS (0.91) CTSSCTSBCTSLCTSK
SCHEMBL1273075 0.95 CTSS (0.91) CTSSCTSBCTSLCTSK
SCHEMBL7804136 0.91 CTSS (1.00) CTSSCTSBCTSLCTSK
SCHEMBL3420440 0.90 CTSS (0.82) CTSSCTSBCTSLCTSK
SCHEMBL3417962 0.90 CTSS (0.82) CTSSCTSBCTSLCTSK
SCHEMBL2103193 0.89 CTSS (0.81) CTSSCTSBCTSLCTSK
SCHEMBL2103198 0.89 CTSS (0.81) CTSSCTSBCTSLCTSK
SCHEMBL13189925 0.89 CTSS (1.00) CTSSCTSBCTSLCTSK
SCHEMBL1271525 0.89 CTSS (1.00) CTSSCTSBCTSLCTSK
SCHEMBL3419285 0.89 CTSS (0.86) 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