SCHEMBL22643233

SCHEMBL22643233

CN1CCC2CN(c3ccc(C[C@@H](C#N)NC(=O)[C@H]4NC5CCC4C5)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 9/20 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
SCHEMBL16064599 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL16064402 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL22643095 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL22643092 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL16064813 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL22643531 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL17483556 0.88 CTSC (0.91) CTSCCTSK
SCHEMBL16064404 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL20384120 0.88 CTSC (0.91) CTSCCTSK
SCHEMBL16042595 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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