SCHEMBL15327129

SCHEMBL15327129

N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccc(-n4ccncc4=O)cc3C(F)(F)F)CN2C(=O)O)CC1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.64

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
SCHEMBL2105224 0.91 CTSS (0.60) CTSS
SCHEMBL700351 0.85 CTSS (0.64) CTSS
Hydrochloric Acid SCHEMBL696488 0.84 CTSS (0.63) CTSS
SCHEMBL15327111 0.82 CTSS (0.62) CTSS
SCHEMBL694040 0.82 CTSS (0.65) CTSS
SCHEMBL15327149 0.80 CTSS (0.48) CTSS
SCHEMBL719226 0.80 CTSS (0.61) CTSS
SCHEMBL2105272 0.80 CTSS (0.64) CTSS
SCHEMBL2102294 0.79 CTSS (0.60) CTSS
SCHEMBL695064 0.79 CTSS (0.69) CTSS

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-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed