SCHEMBL25865830

SCHEMBL25865830

CN1CCC2(C1)OCc1ccc(-c3ccc(C[C@@H](C#N)NCC4CNCCCO4)c(F)c3)cc12

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.52
▸ CTSK P43235 1/20 0.39

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
SCHEMBL25865925 0.94 CTSC (0.47) CTSCCTSK
SCHEMBL25865831 0.89 CTSC (0.56) CTSCCTSK
SCHEMBL25865927 0.86 CTSC (0.58) CTSCCTSK
SCHEMBL25865692 0.86 CTSC (0.52) CTSCCTSK
SCHEMBL25865836 0.84 CTSC (0.41) CTSCCTSK
SCHEMBL25865923 0.83 CTSC (0.57) CTSCCTSK
SCHEMBL25865928 0.82 CTSC (0.66) CTSC
SCHEMBL25865922 0.78 CTSC (0.45) CTSCCTSK
SCHEMBL25865488 0.77 CTSC (0.46) CTSC
SCHEMBL25865949 0.76 CTSC (0.42) 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
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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