SCHEMBL19187190

SCHEMBL19187190

COc1cc(-c2ccc(C[C@@H](C#N)NC(=O)C3NC4CCC3C4)cc2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 1.00

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
SCHEMBL14821975 1.00 CTSC (1.00) CTSC
SCHEMBL14821981 0.88 CTSC (1.00) CTSC
SCHEMBL19186946 0.87 CTSC (1.00) CTSC
SCHEMBL14822292 0.87 CTSC (1.00) CTSC
SCHEMBL14821902 0.86 CTSC (1.00) CTSC
SCHEMBL14822199 0.86 CTSC (1.00) CTSC
SCHEMBL14821978 0.85 CTSC (1.00) CTSC
SCHEMBL14822295 0.83 CTSC (1.00) CTSC
SCHEMBL19186692 0.83 CTSC (1.00) CTSC
SCHEMBL14822161 0.83 CTSC (1.00) CTSC

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-2758398-B1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL]-2-AZABICYCLO [2.2.1]HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2017-08-02 — — EP disclosed
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