SCHEMBL19186855

SCHEMBL19186855

CN1Cc2cc(-c3ccc(C[C@@H](C#N)NC(=O)C4NC5CCC4C5)cc3)ccc2C1=O

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 4/20 0.80

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
SCHEMBL14822153 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL16622312 0.94 CTSC (1.00) CTSCCTSK
SCHEMBL19186995 0.94 CTSC (1.00) CTSCCTSK
SCHEMBL22643414 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL16064658 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL16622362 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL14822294 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL14821908 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL14821988 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL16622369 0.85 CTSC (1.00) 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-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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