SCHEMBL18828618

SCHEMBL18828618

CCn1cc(-c2ccc(C[C@@H](C#N)NC(=O)C3NC4CCC3C4)s2)cn1

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 6/20 0.70

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
SCHEMBL16065017 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL16065151 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL18828827 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL16064507 0.83 CTSC (1.00) CTSCCTSK
SCHEMBL18828815 0.82 CTSC (0.77) CTSCCTSK
SCHEMBL16076335 0.81 CTSC (1.00) CTSCCTSK
SCHEMBL16065020 0.81 CTSC (1.00) CTSCCTSK
SCHEMBL18828812 0.81 CTSC (1.00) CTSCCTSK
SCHEMBL17615992 0.78 CTSC (1.00) CTSCCTSK
SCHEMBL16076340 0.78 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
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