SCHEMBL3841256

SCHEMBL3841256

CC1(C)CN(C[C@@H](NC(=O)[C@H](CC2CCCCC2)NC(=O)ON2CCOCC2)C2CC2)c2ccc(F)cc21

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.72
CTSL P07711 4/20 0.67
CTSK P43235 4/20 0.67

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
SCHEMBL3839956 0.91 CTSS (0.80) CTSSCTSLCTSK
SCHEMBL13349551 0.89 CTSS (0.83) CTSSCTSLCTSK
SCHEMBL13211488 0.89 CTSS (0.83) CTSSCTSLCTSK
SCHEMBL8291080 0.89 CTSS (0.83) CTSSCTSLCTSK
SCHEMBL3024208 0.83 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL3024209 0.83 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL3024205 0.83 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL3023914 0.81 CTSS (0.65) CTSSCTSLCTSK
SCHEMBL4798613 0.81 CTSS (0.77) CTSSCTSLCTSK
SCHEMBL4798618 0.81 CTSS (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 EP claimed