SCHEMBL22643299

SCHEMBL22643299

CC1C2CC(NC2C(=O)N[C@H](C#N)Cc2ccc(-c3ccc(SN)cc3)cc2F)[C@H]1C

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.66
▸ CTSK P43235 18/20 0.66

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
SCHEMBL19155256 0.89 CTSC (0.83) CTSCCTSK
SCHEMBL19368036 0.89 CTSC (0.83) CTSCCTSK
SCHEMBL19155423 0.88 CTSC (0.83) CTSCCTSK
SCHEMBL19368421 0.87 CTSC (0.82) CTSCCTSK
SCHEMBL19155269 0.87 CTSC (0.82) CTSCCTSK
SCHEMBL19368250 0.87 CTSC (0.85) CTSCCTSK
SCHEMBL19155162 0.87 CTSC (0.85) CTSCCTSK
SCHEMBL19155347 0.87 CTSC (0.85) CTSCCTSK
SCHEMBL19155280 0.86 CTSC (0.83) CTSCCTSK
SCHEMBL19155233 0.86 CTSC (0.85) 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
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