SCHEMBL30738883

SCHEMBL30738883

[2H]C([2H])([2H])n1c(=O)oc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@@H]4C[C@@H]5COC[C@@H]5N4)cc3)cc21

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.74
▸ KCNH2 Q12809 1/20 0.50

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
SCHEMBL27381740 0.95 CTSC (0.82) CTSCKCNH2
SCHEMBL27382092 0.95 CTSC (0.82) CTSCKCNH2
SCHEMBL27382094 0.95 CTSC (0.82) CTSCKCNH2
SCHEMBL27382097 0.95 CTSC (0.82) CTSCKCNH2
SCHEMBL30738901 0.90 CTSC (0.65) CTSC
SCHEMBL30738963 0.88 CTSC (0.58) CTSC
SCHEMBL30738915 0.88 CTSC (0.58) CTSC
SCHEMBL30738849 0.88 CTSC (0.85) CTSCKCNH2
SCHEMBL30738955 0.88 CTSC (0.85) CTSCKCNH2
SCHEMBL30738904 0.88 CTSC (0.85) 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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