SCHEMBL22643210

SCHEMBL22643210

CC(C)CC(=O)n1cc(-c2ccc([C@@H](C)[C@@H](C#N)NC(=O)[C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)c(F)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 18/20 0.49
▸ CTSK P43235 15/20 0.49
▸ PREP P48147 1/20 0.34
▸ RET P07949 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
SCHEMBL22643212 0.92 CTSC (0.46) CTSCCTSKPREPRET
SCHEMBL22643221 0.88 CTSC (0.48) CTSCCTSKPREP
SCHEMBL16064169 0.88 CTSC (0.66) CTSCCTSK
SCHEMBL22643264 0.86 CTSC (0.50) CTSCCTSK
SCHEMBL22642788 0.80 CTSC (0.43) CTSCCTSK
SCHEMBL16078776 0.80 CTSC (0.67) CTSCCTSK
SCHEMBL22642853 0.80 CTSC (0.46) CTSCCTSK
SCHEMBL16078764 0.79 CTSC (0.64) CTSCCTSK
SCHEMBL16075184 0.77 CTSC (0.65) CTSCCTSK
SCHEMBL16075182 0.77 CTSC (0.65) CTSCCTSK

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-2970283-B1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2020-11-11 — — EP disclosed
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