SCHEMBL31536741

SCHEMBL31536741

CSC1CO[C@H](C(=O)N[C@H](C#N)Cc2ccc(-c3ccc4oc(=O)n(C)c4c3)cc2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.59
▸ KCNH2 Q12809 2/20 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
SCHEMBL31536738 1.00 CTSC (0.59) CTSCKCNH2
SCHEMBL31536760 1.00 CTSC (0.59) CTSCKCNH2
SCHEMBL28696441 0.92 CTSC (0.60) CTSCKCNH2
SCHEMBL30738876 0.92 CTSC (0.60) CTSCKCNH2
SCHEMBL29579543 0.92 CTSC (0.60) CTSCKCNH2
SCHEMBL29579315 0.92 CTSC (0.60) CTSCKCNH2
SCHEMBL29578950 0.91 CTSC (0.57) CTSCKCNH2
SCHEMBL30990384 0.91 CTSC (0.59) CTSCKCNH2
SCHEMBL30990377 0.91 CTSC (0.59) CTSCKCNH2
SCHEMBL29579032 0.91 CTSC (0.59) 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-2025059526-A1 DIPEPTIDYL PEPTIDASE 1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2025-03-20 — — WO disclosed
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