SCHEMBL29294537

SCHEMBL29294537

Cn1c(=O)oc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)C4CCCCCNC4)c(F)c3)cc21

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.65
▸ CTSK P43235 1/20 0.59
▸ KCNH2 Q12809 1/20 0.51

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
SCHEMBL30987088 1.00 CTSC (0.65) CTSCCTSKKCNH2
SCHEMBL30987024 1.00 CTSC (0.65) CTSCCTSKKCNH2
SCHEMBL30987187 1.00 CTSC (0.65) CTSCCTSKKCNH2
SCHEMBL29294538 1.00 CTSC (0.65) CTSCCTSKKCNH2
SCHEMBL29294539 1.00 CTSC (0.65) CTSCCTSKKCNH2
SCHEMBL29294519 1.00 CTSC (0.65) CTSCCTSKKCNH2
SCHEMBL27381054 0.91 CTSC (0.73) CTSCCTSKKCNH2
SCHEMBL29294516 0.89 CTSC (0.75) CTSCKCNH2
SCHEMBL29294517 0.89 CTSC (0.75) CTSCKCNH2
SCHEMBL30987072 0.89 CTSC (0.75) 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-2024148308-A1 NOVEL, REVERSIBLE DPP1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2024-07-11 — — WO disclosed
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