SCHEMBL18828579

SCHEMBL18828579

N#C[C@H](Cc1ccc(-c2ccc3c(c2)NC(=O)C3)s1)NC(=O)C1NC2CCC1C2

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 0.74

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
SCHEMBL16065019 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL16622364 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL18828578 0.87 CTSC (0.76) CTSCCTSK
SCHEMBL16064606 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL22642987 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL16064483 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL18828628 0.84 CTSC (1.00) CTSCCTSK
SCHEMBL16076336 0.84 CTSC (1.00) CTSCCTSK
SCHEMBL16065152 0.83 CTSC (1.00) CTSCCTSK
SCHEMBL18828561 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