SCHEMBL21233135

SCHEMBL21233135

CN1CCC2(CC1)C(=O)N(C)c1ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4NC5CC[C@H]4C5)c(F)c3)cc12

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 8/20 0.74

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
SCHEMBL21233290 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL18373165 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL21233136 0.93 CTSC (0.87) CTSCCTSK
SCHEMBL18373205 0.93 CTSC (1.00) CTSCCTSK
SCHEMBL18373177 0.92 CTSC (1.00) CTSCCTSK
SCHEMBL18373220 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL18373194 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL21441006 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL18373160 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL16078869 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-3191487-B1 SPIROCYCLIC INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2019-08-07 — — EP disclosed
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