SCHEMBL6693353

SCHEMBL6693353

CC(C)(C)C[C@H](Nc1nc2ccccc2o1)C(=O)N[C@H](CC(=O)O)CC1CNc2ccc(F)cc21

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.50
CTSL P07711 10/20 0.42
CTSK P43235 5/20 0.41
ELANE P08246 1/20 0.35
HCRTR1 O43613 1/20 0.33

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
SCHEMBL6697383 0.92 CTSS (0.46) CTSSCTSLCTSKELANEHCRTR1
SCHEMBL6690808 0.88 CTSS (0.65) CTSSCTSLCTSK
SCHEMBL6698372 0.83 CTSS (0.57) CTSSCTSLCTSK
SCHEMBL6688121 0.79 CTSL (0.47) CTSSCTSLCTSK
SCHEMBL5364220 0.77 CTSS (0.76) CTSSCTSLCTSK
SCHEMBL5364226 0.77 CTSS (0.76) CTSSCTSLCTSK
SCHEMBL6691403 0.75 CTSS (0.62) CTSSCTSLCTSK
SCHEMBL6698404 0.74 CTSS (0.69) CTSSCTSLCTSK
SCHEMBL6689105 0.73 CTSS (0.66) CTSSCTSLCTSK
SCHEMBL6693906 0.72 CTSS (0.68) 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
WO-2004112709-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-12-29 WO claimed
WO-2004112709-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-12-29 WO disclosed