SCHEMBL31095589

SCHEMBL31095589

CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H](C(=O)NC(C#N)Cc2cc3ccc(-c4ccc5oc(=O)n(C)c5c4)cc3[nH]2)OC1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.48
▸ KCNH2 Q12809 1/20 0.41
▸ 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
SCHEMBL30987174 0.91 CTSC (0.57) CTSCKCNH2
SCHEMBL30987120 0.91 CTSC (0.57) CTSCKCNH2
SCHEMBL31095777 0.90 CTSC (0.57) CTSCKCNH2
SCHEMBL31095786 0.86 CTSC (0.56) CTSCKCNH2
SCHEMBL31095624 0.85 CTSC (0.44) CTSCKCNH2CTSK
SCHEMBL29579032 0.85 CTSC (0.59) CTSCKCNH2
SCHEMBL30990377 0.85 CTSC (0.59) CTSCKCNH2
SCHEMBL30990384 0.85 CTSC (0.59) CTSCKCNH2
SCHEMBL31095802 0.85 CTSC (0.64) CTSCKCNH2
SCHEMBL31095841 0.85 CTSC (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680247-A1 DPP1 INHIBITORS WITH POLYCYCLIC LINKERS AND USES THEREOF Insmed Incorporated (US) 2026-01-21 — — EP disclosed
WO-2024192416-A1 DPP1 INHIBITORS WITH POLYCYCLIC LINKERS AND USES THEREOF INSMED INCORPORATED (US) 2024-09-19 — — WO disclosed
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