SCHEMBL19186996

SCHEMBL19186996

Cn1ncc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)C4NC5CCC4C5)cc3)cc21

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
SCHEMBL14821906 1.00 CTSC (1.00) CTSC
SCHEMBL14822290 0.94 CTSC (1.00) CTSC
SCHEMBL19186713 0.94 CTSC (1.00) CTSC
SCHEMBL14822198 0.85 CTSC (1.00) CTSC
SCHEMBL19186825 0.85 CTSC (1.00) CTSC
SCHEMBL19187308 0.85 CTSC (1.00) CTSC
SCHEMBL14821905 0.85 CTSC (1.00) CTSC
SCHEMBL19186844 0.84 CTSC (1.00) CTSC
SCHEMBL14821904 0.84 CTSC (1.00) CTSC
SCHEMBL14822300 0.84 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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