SCHEMBL22643142

SCHEMBL22643142

Cc1n[nH]cc1-c1ccc(CC(C#N)NC(=O)C2N[C@@H]3CCC2C3)c(F)c1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.76
▸ CTSK P43235 17/20 0.76

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
SCHEMBL16064280 1.00 CTSC (0.76) CTSCCTSK
SCHEMBL22643144 0.88 CTSC (0.58) CTSCCTSK
SCHEMBL16064301 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL22642973 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL16064723 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL16064237 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL17615993 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL22643096 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL16064706 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL16064683 0.85 CTSC (0.78) 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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