SCHEMBL22643139

SCHEMBL22643139

C[C@@H]1C2C3CC(C(C(=O)N[C@H](C#N)Cc4ccc(-c5ccc(NS)cc5)cc4F)N3)C21

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.68
▸ CTSK P43235 18/20 0.66

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
SCHEMBL22643130 0.94 CTSC (0.67) CTSCCTSK
SCHEMBL22643034 0.92 CTSC (0.65) CTSCCTSK
SCHEMBL22642983 0.91 CTSC (0.67) CTSCCTSK
SCHEMBL22642982 0.91 CTSC (0.82) CTSCCTSK
SCHEMBL22643196 0.91 CTSC (0.82) CTSCCTSK
SCHEMBL21076221 0.91 CTSC (0.82) CTSCCTSK
SCHEMBL22643141 0.91 CTSC (0.66) CTSCCTSK
SCHEMBL21076321 0.90 CTSC (0.83) CTSCCTSK
SCHEMBL21076320 0.90 CTSC (0.83) CTSCCTSK
SCHEMBL22643305 0.89 CTSC (0.80) 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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