SCHEMBL22642942

SCHEMBL22642942

C[C@H]1[C@H]2[C@H]3C[C@H](N[C@@H]3C(=O)N[C@H](C#N)Cc3ccc(-c4ccc(N)nc4)cc3F)[C@@H]12

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.68
▸ CTSK P43235 17/20 0.68

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
SCHEMBL21076302 0.92 CTSC (0.81) CTSCCTSK
SCHEMBL21076301 0.92 CTSC (0.81) CTSCCTSK
SCHEMBL21076225 0.91 CTSC (0.81) CTSCCTSK
SCHEMBL21076224 0.91 CTSC (0.81) CTSCCTSK
SCHEMBL22643141 0.87 CTSC (0.66) CTSCCTSK
SCHEMBL21076235 0.87 CTSC (0.83) CTSCCTSK
SCHEMBL21076236 0.87 CTSC (0.83) CTSCCTSK
SCHEMBL22643305 0.87 CTSC (0.80) CTSCCTSK
SCHEMBL21076240 0.86 CTSC (0.80) CTSCCTSK
SCHEMBL22643034 0.86 CTSC (0.65) 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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