SCHEMBL21173302

SCHEMBL21173302

CN[C@H](Cc1ccc(-c2ccc3c(c2)C2(CCN(C)C2)OC3=O)cc1F)NC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.55
▸ CTSK P43235 2/20 0.39

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
SCHEMBL18373217 0.90 CTSC (0.68) CTSCCTSK
SCHEMBL18373186 0.87 CTSC (0.68) CTSCCTSK
SCHEMBL18373197 0.85 CTSC (0.67) CTSCCTSK
SCHEMBL18373216 0.84 CTSC (0.60) CTSCCTSK
SCHEMBL18373199 0.84 CTSC (0.70) CTSCCTSK
SCHEMBL18373185 0.83 CTSC (0.61) CTSCCTSK
SCHEMBL18373196 0.81 CTSC (0.60) CTSCCTSK
SCHEMBL18373209 0.81 CTSC (0.56) CTSCCTSK
SCHEMBL18373190 0.80 CTSC (0.70) CTSCCTSK
SCHEMBL16064414 0.79 CTSC (0.49) 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-3511331-A1 SPIROCYCLIC INHIBITORS OF CATHEPSIN C Boehringer Ingelheim International GmbH (DE) 2019-07-17 — — EP disclosed
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