SCHEMBL5569636

SCHEMBL5569636

N#Cc1ncc(C(=O)NC2(Cc3ccccc3)CCN(C(=O)O)CC2)c(NCC2CCC3(CC2)CC3)n1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.85
CTSL P07711 15/20 0.85
CTSK P43235 7/20 0.85

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
SCHEMBL3595483 0.77 CTSS (0.69) CTSSCTSLCTSK
SCHEMBL3586488 0.66 CTSS (0.68) CTSSCTSLCTSK
SCHEMBL5571480 0.66 CTSL (0.58) CTSSCTSLCTSK
SCHEMBL3605083 0.65 CTSL (0.81) CTSSCTSLCTSK
SCHEMBL3593711 0.65 CTSL (1.00) CTSSCTSLCTSK
SCHEMBL3589178 0.64 CTSS (0.58) CTSSCTSLCTSK
SCHEMBL3586215 0.64 CTSS (0.51) CTSSCTSLCTSK
SCHEMBL5567274 0.62 CTSL (0.85) CTSSCTSLCTSK
SCHEMBL3596145 0.62 CTSS (0.52) CTSSCTSLCTSK
SCHEMBL5572278 0.60 CTSL (0.72) CTSSCTSLCTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781623-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS Novartis AG (CH) 2007-05-09 EP disclosed
WO-2006018284-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2006-02-23 WO disclosed