SCHEMBL8224249

SCHEMBL8224249

CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)OCCCO2)C(=O)NC1(N)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 18/20 0.67
CTSS P25774 18/20 0.67
CTSK P43235 18/20 0.67
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.39

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
SCHEMBL347053 0.85 CTSS (0.92) CTSBCTSSCTSK
SCHEMBL8224300 0.82 CTSB (0.54) CTSBCTSSCTSKKDM4EALDH1A1
SCHEMBL11917586 0.81 CTSS (0.71) CTSBCTSSCTSK
SCHEMBL346799 0.80 CTSS (1.00) CTSBCTSSCTSK
SCHEMBL8220646 0.80 CTSB (0.74) CTSBCTSSCTSK
SCHEMBL8225932 0.80 CTSB (0.65) CTSBCTSSCTSK
SCHEMBL8218566 0.79 CTSB (0.73) CTSBCTSSCTSK
SCHEMBL8227148 0.79 CTSB (0.76) CTSBCTSSCTSK
SCHEMBL13639479 0.78 CTSS (0.74) CTSBCTSSCTSK
SCHEMBL8224286 0.78 CTSB (0.55) 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