SCHEMBL25867652

SCHEMBL25867652

CN1CC(n2c(=O)oc3ccc(-c4ccc(C[C@@H](C#N)NC(=O)[C@@H]5CNCCCO5)cc4)cc32)C1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.81
▸ KCNH2 Q12809 2/20 0.78

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
Brensocatib SCHEMBL26072609 0.90 CTSC (1.00) CTSCKCNH2
Brensocatib SCHEMBL30025888 0.90 CTSC (1.00) CTSCKCNH2
Brensocatib SCHEMBL19813196 0.90 CTSC (1.00) CTSCKCNH2
Brensocatib SCHEMBL16932317 0.90 CTSC (1.00) CTSCKCNH2
Brensocatib SCHEMBL30901221 0.90 CTSC (1.00) CTSCKCNH2
Brensocatib SCHEMBL30025597 0.90 CTSC (1.00) CTSCKCNH2
Brensocatib SCHEMBL19826706 0.90 CTSC (1.00) CTSCKCNH2
Brensocatib SCHEMBL29363739 0.90 CTSC (1.00) CTSCKCNH2
Brensocatib SCHEMBL30025600 0.90 CTSC (1.00) CTSCKCNH2
Brensocatib SCHEMBL26072928 0.90 CTSC (1.00) CTSCKCNH2

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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