SCHEMBL22046348

SCHEMBL22046348

N#C[C@H](Cc1ccc(-c2ccc3c(c2)CCNC3)cc1)NC(=O)[C@H]1NC2CCC1CC2

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.73
▸ CTSK P43235 8/20 0.72

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
SCHEMBL16070992 0.84 CTSC (1.00) CTSCCTSK
SCHEMBL16071104 0.84 CTSC (1.00) CTSCCTSK
SCHEMBL16071106 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL8039490 0.82 CTSC (0.71) CTSCCTSK
SCHEMBL16045001 0.81 CTSC (1.00) CTSCCTSK
SCHEMBL16071155 0.81 CTSC (1.00) CTSCCTSK
SCHEMBL14822392 0.80 CTSC (1.00) CTSC
SCHEMBL19186816 0.80 CTSC (1.00) CTSC
SCHEMBL16070990 0.80 CTSC (1.00) CTSCCTSK
SCHEMBL19187234 0.80 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-2970252-B1 SUBSTITUTED 2-AZA-BICYCLO[2.2.2]OCTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2020-06-03 — — EP disclosed
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