SCHEMBL30738869

SCHEMBL30738869

Cn1c(=O)oc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)cc3)cc21

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 19/20 0.54
▸ KCNH2 Q12809 1/20 0.44
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38

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
SCHEMBL20162066 0.90 CTSC (0.60) CTSCKCNH2CTSSCTSK
SCHEMBL30194946 0.90 CTSC (0.60) CTSCKCNH2CTSSCTSK
SCHEMBL16940311 0.90 CTSC (0.60) CTSCKCNH2CTSSCTSK
SCHEMBL31757753 0.88 CTSC (0.52) CTSCKCNH2CTSSCTSK
SCHEMBL31757915 0.88 CTSC (0.52) CTSCKCNH2CTSSCTSK
SCHEMBL31757627 0.87 CTSC (0.53) CTSCKCNH2CTSSCTSK
SCHEMBL31757709 0.87 CTSC (0.54) CTSCKCNH2
SCHEMBL31758036 0.86 CTSC (0.52) CTSCKCNH2CTSSCTSK
SCHEMBL30738924 0.86 CTSC (0.59) CTSCKCNH2
SCHEMBL31757693 0.85 CTSC (0.51) CTSCKCNH2CTSSCTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4561565-A2 NOVEL DPP1 INHIBITORS AND USES THEREOF Insmed Incorporated (US) 2025-06-04 — — EP disclosed
WO-2024026433-A2 NOVEL DPP1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2024-02-01 — — WO disclosed
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