SCHEMBL18828815

SCHEMBL18828815

CSc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)C3NC4CCC3C4)s2)cc1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.77
▸ CTSK P43235 5/20 0.68

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
SCHEMBL16076335 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL18828812 0.83 CTSC (1.00) CTSCCTSK
SCHEMBL16065020 0.83 CTSC (1.00) CTSCCTSK
SCHEMBL16076340 0.83 CTSC (1.00) CTSCCTSK
SCHEMBL18828577 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL16076337 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL16065012 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL18828773 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL18828772 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL18828789 0.82 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
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