SCHEMBL22643481

SCHEMBL22643481

CN1CCC(C)(c2ccc(C[C@@H](C#N)NC(=O)C3NC4CCC3C4)c(F)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 1.00
▸ CTSK P43235 10/20 0.74

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
SCHEMBL16064173 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL22643067 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL16064123 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL16064126 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL22643089 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL16042595 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL16064677 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL29809065 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL18373194 0.83 CTSC (1.00) CTSCCTSK
SCHEMBL22643416 0.83 CTSC (1.00) 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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