SCHEMBL22643540

SCHEMBL22643540

COCCN1CCC(c2ccc(C[C@@H](C#N)NC(=O)C3NC4CCC3C4)c(F)c2)C1

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 11/20 0.79

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
SCHEMBL16064763 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL16064258 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL22643158 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL16064677 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL22643412 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL16078838 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL16064399 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL16078866 0.84 CTSC (1.00) CTSCCTSK
SCHEMBL20384127 0.83 CTSC (0.83) CTSCCTSK
SCHEMBL17483524 0.83 CTSC (0.83) 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-2970283-B1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2020-11-11 — — EP disclosed
Send feedback