SCHEMBL8225932

SCHEMBL8225932

CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CN(C1CC1)C2)C(=O)NC1(N)CC1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSB P07858 20/20 0.65
CTSS P25774 20/20 0.65
CTSK P43235 20/20 0.65

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
SCHEMBL8225937 0.89 CTSB (0.67) CTSBCTSSCTSK
SCHEMBL11917586 0.85 CTSS (0.71) CTSBCTSSCTSK
SCHEMBL346435 0.85 CTSB (0.88) CTSBCTSSCTSK
SCHEMBL8223388 0.85 CTSB (0.70) CTSBCTSSCTSK
SCHEMBL8223852 0.84 CTSB (0.56) CTSBCTSSCTSK
SCHEMBL8229166 0.82 CTSB (0.76) CTSBCTSSCTSK
SCHEMBL8218566 0.81 CTSB (0.73) CTSBCTSSCTSK
SCHEMBL8225355 0.81 CTSB (0.67) CTSBCTSSCTSK
SCHEMBL8223762 0.80 CTSB (0.53) CTSBCTSSCTSK
SCHEMBL8224249 0.80 CTSB (0.67) CTSBCTSSCTSK

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-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 WO disclosed