SCHEMBL28705318

SCHEMBL28705318

CO[C@@H]1CNC[C@@H](C(=O)N[C@H](C#N)Cc2ccc(-c3ccc4c(c3)CN(C)C4=O)cc2F)OC1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.63
▸ CTSK P43235 12/20 0.63

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
SCHEMBL28705319 1.00 CTSC (0.63) CTSCCTSK
SCHEMBL28705536 0.90 CTSC (0.60) CTSCCTSK
SCHEMBL28705535 0.90 CTSC (0.60) CTSCCTSK
SCHEMBL28989323 0.86 CTSC (0.65) CTSCCTSK
SCHEMBL29455616 0.86 CTSC (0.65) CTSCCTSK
SCHEMBL24981551 0.86 CTSC (0.65) CTSCCTSK
SCHEMBL24981575 0.86 CTSC (0.65) CTSCCTSK
SCHEMBL28989324 0.86 CTSC (0.65) CTSCCTSK
SCHEMBL28700439 0.86 CTSC (0.56) CTSCCTSK
SCHEMBL28700441 0.86 CTSC (0.56) 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
CN-114106005-A Nitrile derivative as dipeptidyl peptidase 1 inhibitor and application thereof 四川海思科制药有限公司 2022-03-01 — — CN disclosed
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