SCHEMBL21173001

SCHEMBL21173001

C/C=C(\N[C@H](C#N)Cc1ccc(-c2ccc3c(c2)C2(CCNCC2)CC3)cc1F)C1NC2CCC1C2

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.81
▸ CTSK P43235 8/20 0.57

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
SCHEMBL18373203 0.90 CTSC (1.00) CTSCCTSK
SCHEMBL21233138 0.88 CTSC (0.82) CTSCCTSK
SCHEMBL21233268 0.85 CTSC (0.83) CTSCCTSK
SCHEMBL18373194 0.83 CTSC (1.00) CTSCCTSK
SCHEMBL21233136 0.80 CTSC (0.87) CTSCCTSK
SCHEMBL21172969 0.79 CTSC (0.85) CTSCCTSK
SCHEMBL21233232 0.78 CTSC (0.63) CTSCCTSK
SCHEMBL18373205 0.78 CTSC (1.00) CTSCCTSK
SCHEMBL21233250 0.77 CTSC (1.00) CTSCCTSK
SCHEMBL18373159 0.77 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 2 patents. 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
EP-3511331-A1 SPIROCYCLIC INHIBITORS OF CATHEPSIN C Boehringer Ingelheim International GmbH (DE) 2019-07-17 — — EP disclosed
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