SCHEMBL18828773

SCHEMBL18828773

N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)C3NC4CCC3C4)s2)cc1F

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 0.77

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
SCHEMBL18828772 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL16065012 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL22643125 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL16064217 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL17615992 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL19186786 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL15064889 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL19187241 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL14821993 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL16064670 0.83 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-2970228-B1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2017-05-10 — — EP disclosed
Send feedback