SCHEMBL25865696

SCHEMBL25865696

N#C[C@H](Cc1ccc(-c2ccc3c(c2)C2(CCN(C4COC4)CC2)OC3=O)cc1F)NC(=O)[C@@H]1CNCCCO1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.60
▸ CTSK P43235 1/20 0.49

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
SCHEMBL25865690 0.94 CTSC (0.55) CTSCCTSK
SCHEMBL25865693 0.89 CTSC (0.68) CTSC
SCHEMBL25865951 0.89 CTSC (0.60) CTSCCTSK
SCHEMBL25865721 0.86 CTSC (0.59) CTSCCTSK
SCHEMBL25865838 0.85 CTSC (0.55) CTSC
SCHEMBL31758820 0.84 CTSC (0.60) CTSC
SCHEMBL25865833 0.83 CTSC (0.49) CTSCCTSK
SCHEMBL25867661 0.81 CTSC (0.56) CTSC
SCHEMBL31758760 0.81 CTSC (0.64) CTSC
SCHEMBL25867653 0.81 CTSC (0.64) CTSC

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
WO-2023134656-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF 上海壹典医药科技开发有限公司 2023-07-20 — — WO disclosed
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