SCHEMBL15327271

SCHEMBL15327271

Cc1ccc(=O)n(-c2ccc(S(=O)(=O)[C@@H]3C[C@@H](C(=O)NC4(C#N)CC4)N(OC(=O)OC(C)(C)C)C3)c(C(F)(F)F)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.57

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
SCHEMBL2105201 0.89 CTSS (0.64) CTSS
SCHEMBL15327434 0.84 CTSS (0.53) CTSS
SCHEMBL15327446 0.84 CTSS (0.52) CTSS
SCHEMBL15327217 0.82 CTSS (0.59) CTSS
SCHEMBL15327304 0.82 CTSS (0.55) CTSS
SCHEMBL15327419 0.81 CTSS (0.55) CTSS
SCHEMBL2105522 0.81 CTSS (0.63) CTSS
Hydrochloric Acid SCHEMBL695460 0.81 CTSS (0.62) CTSS
SCHEMBL15327585 0.78 CTSS (0.51) CTSS
SCHEMBL15327441 0.78 CTSS (0.51) 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 claimed