SCHEMBL22643499

SCHEMBL22643499

N#C[C@H](Cc1ccc2ccccc2c1)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 1/20 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
SCHEMBL16064545 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL14802050 0.87 CTSC (0.88) CTSCCTSK
SCHEMBL14822287 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL19186938 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL29809108 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL16064674 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL16045052 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL14822157 0.84 CTSC (1.00) CTSC
SCHEMBL19187250 0.84 CTSC (1.00) CTSC
SCHEMBL22643407 0.84 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-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