SCHEMBL22642973

SCHEMBL22642973

Cc1occc1-c1ccc(CC(C#N)NC(=O)[C@H]2N[C@@H]3CCC2C3)c(F)c1

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 19/20 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
SCHEMBL16064723 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL17615993 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL22642972 0.87 CTSC (0.78) CTSCCTSK
SCHEMBL16064573 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL22643142 0.85 CTSC (0.76) CTSCCTSK
SCHEMBL16064280 0.85 CTSC (0.76) CTSCCTSK
SCHEMBL16064508 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL16064669 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL22643239 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL22643440 0.85 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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