SCHEMBL22643429

SCHEMBL22643429

CC(=O)N1CCC(Cn2cc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4NC5CCC4C5)c(F)c3)cn2)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 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
SCHEMBL16064646 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL16064659 0.90 CTSC (1.00) CTSCCTSK
SCHEMBL16064507 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL16064490 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL16064689 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL16064496 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL16064773 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL16078747 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL16064643 0.87 CTSC (0.89) CTSCCTSK
SCHEMBL22642984 0.86 CTSC (0.87) 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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