SCHEMBL21172962

SCHEMBL21172962

N#CC(Cc1ccc(-c2ccc3c(c2)C2(CCN(C4COC4)CC2)OC3)cc1F)NC(=O)C12CCC(CC1)CN2

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 0.63

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
SCHEMBL17584779 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL31704121 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL26986791 0.87 CTSC (0.77) CTSCCTSK
SCHEMBL27128616 0.87 CTSC (0.77) CTSCCTSK
SCHEMBL26986996 0.85 CTSC (0.75) CTSCCTSK
SCHEMBL27125235 0.85 CTSC (0.75) CTSCCTSK
SCHEMBL21233162 0.83 CTSC (0.72) CTSCCTSK
SCHEMBL31758000 0.83 CTSC (0.72) CTSCCTSK
SCHEMBL27131878 0.83 CTSC (0.71) CTSCCTSK
SCHEMBL26986714 0.83 CTSC (0.71) 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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