SCHEMBL21233288

SCHEMBL21233288

C=C(N[C@H](C#N)Cc1ccc(-c2ccc3c(c2)C2(CCN(C)CC2)OC3=O)cc1F)C1NC2CCC1C2

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.86
▸ CTSK P43235 2/20 0.67

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
SCHEMBL18373181 0.93 CTSC (1.00) CTSCCTSK
SCHEMBL21172969 0.91 CTSC (0.85) CTSCCTSK
SCHEMBL18373180 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL18373179 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL18373182 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL18373161 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL18373221 0.84 CTSC (1.00) CTSCCTSK
SCHEMBL18373222 0.83 CTSC (1.00) CTSCCTSK
SCHEMBL18373213 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL18373191 0.82 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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