SCHEMBL22643440

SCHEMBL22643440

N#C[C@H](Cc1ccc(-c2ccco2)cc1F)NC(=O)C1N[C@@H]2CCC1C2

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 18/20 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
SCHEMBL16064669 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL16064703 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL16064686 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL16064508 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL22643239 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL16064300 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL22643333 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL16064272 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL16641674 0.86 CTSC (0.87) CTSCCTSK
SCHEMBL16064682 0.86 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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