SCHEMBL700893

SCHEMBL700893

CCN1CCN(c2ccc(S(=O)(=O)C3CC(C(=O)NC4(C#N)CC4)N(c4ncccc4C(F)(F)F)C3)c(Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.52
CTSL P07711 3/20 0.49

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
SCHEMBL700470 1.00 CTSS (0.52) CTSSCTSL
SCHEMBL699250 1.00 CTSS (0.52) CTSSCTSL
SCHEMBL15327497 0.90 CTSS (0.44) CTSSCTSL
SCHEMBL15327550 0.90 CTSS (0.44) CTSSCTSL
SCHEMBL3067380 0.87 HSD11B1 (0.44) CTSS
SCHEMBL3066193 0.87 HSD11B1 (0.44) CTSS
SCHEMBL694813 0.87 CTSS (0.60) CTSSCTSL
SCHEMBL694718 0.87 CTSS (0.60) CTSSCTSL
SCHEMBL696614 0.86 CTSS (0.58) CTSSCTSL
SCHEMBL694031 0.82 CTSS (0.73) CTSSCTSL

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-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed