SCHEMBL22643401

SCHEMBL22643401

CC1(C)OC(=O)c2ccc(-c3ccc(C[C@@H](C#N)NC(=O)C4NC5CCC4C5)c(F)c3)cc21

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 11/20 1.00

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
SCHEMBL16064642 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL22643230 0.94 CTSC (1.00) CTSCCTSK
SCHEMBL16064797 0.94 CTSC (1.00) CTSCCTSK
SCHEMBL18373213 0.90 CTSC (1.00) CTSCCTSK
SCHEMBL18373179 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL18373221 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL18373181 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL18373191 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL18373180 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL18828648 0.87 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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