SCHEMBL18828577

SCHEMBL18828577

CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C[C@@H](C#N)NC(=O)C4NC5CCC4C5)s3)cc2)CC1

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 2/20 0.73

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
SCHEMBL16076337 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL16076335 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL16064644 0.84 CTSC (1.00) CTSCCTSK
SCHEMBL18828815 0.82 CTSC (0.77) CTSCCTSK
SCHEMBL16076340 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL17620431 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL16064631 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL16064357 0.81 CTSC (1.00) CTSCCTSK
SCHEMBL22643064 0.81 CTSC (1.00) CTSCCTSK
SCHEMBL18828661 0.81 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