SCHEMBL30738872

SCHEMBL30738872

CC(C)(C)OC(=O)N1CC(C(=O)N[C@H](C#N)Cc2ccc(-c3ccc(C#N)cc3)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.56
▸ KCNH2 Q12809 3/20 0.55
▸ CTSK P43235 3/20 0.53

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
SCHEMBL30738900 0.87 CTSC (0.50) CTSCCTSK
SCHEMBL30738865 0.86 CTSC (0.46) CTSCKCNH2CTSK
SCHEMBL21924554 0.83 CTSC (0.61) CTSCKCNH2CTSK
SCHEMBL16932365 0.83 CTSC (0.61) CTSCKCNH2CTSK
SCHEMBL16932243 0.83 CTSC (0.61) CTSCKCNH2CTSK
SCHEMBL31758698 0.83 CTSC (0.55) CTSCKCNH2CTSK
SCHEMBL31670685 0.82 CTSC (0.52) CTSCKCNH2CTSK
SCHEMBL30738946 0.81 CTSC (0.61) CTSCKCNH2
SCHEMBL30738949 0.81 CTSC (0.61) CTSCKCNH2
SCHEMBL30738947 0.81 CTSC (0.61) 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-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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