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Sugi Predict / Compounds / SCHEMBL16622363

SCHEMBL16622363

SCHEMBL16622363

CC(=O)N1C(=O)Cc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)cc3)cc21

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 2/20 0.75

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
SCHEMBL15064980 0.91 CTSC (1.00) CTSCCTSK
SCHEMBL19188027 0.91 CTSC (1.00) CTSCCTSK
SCHEMBL14822415 0.90 CTSC (1.00) CTSCCTSK
SCHEMBL19187217 0.90 CTSC (1.00) CTSCCTSK
SCHEMBL14822202 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL14822152 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL16622369 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL16079115 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL16071094 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL15084122 0.85 CTSC (0.74) 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
US-8999975-B2 Substituted N- [1-cyano-2- (phenyl) ethyl] -2-azabicyclo [2.2.1] heptane-3-carboxamide inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-07 — — US disclosed