SCHEMBL22643016

SCHEMBL22643016

N#C[C@H](Cc1ccc(-c2cc(C(=O)N3CCn4nccc4C3)co2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@@H]1C2

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 15/20 1.00

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
SCHEMBL16078848 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL16078867 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL16064311 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL22643495 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL16064142 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL19368496 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL16064272 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL22643333 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL16064512 0.82 CTSC (0.69) CTSCCTSK
SCHEMBL16064162 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-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