SCHEMBL30738936

SCHEMBL30738936

CC(C)(C)OC(=O)N1[C@H](C(=O)N[C@H](C#N)Cc2ccc(-c3ccc(C#N)cc3)cc2)C[C@@H]2CCC[C@@H]21

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.56
▸ KCNH2 Q12809 3/20 0.51
▸ CTSK P43235 3/20 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
SCHEMBL30738906 0.89 CTSC (0.51) CTSCKCNH2CTSK
SCHEMBL30738860 0.88 CTSC (0.49) CTSCCTSK
SCHEMBL31536771 0.85 CTSC (0.65) CTSCKCNH2CTSK
SCHEMBL30738845 0.84 CTSC (0.63) CTSCKCNH2CTSK
SCHEMBL19544840 0.83 YAP1 (0.39) CTSCCTSK
SCHEMBL19544844 0.83 YAP1 (0.39) CTSCCTSK
SCHEMBL16070999 0.82 CTSC (0.56) CTSCKCNH2CTSK
SCHEMBL30738872 0.79 CTSC (0.56) CTSCKCNH2CTSK
SCHEMBL30357421 0.78 CTSC (0.52) CTSCKCNH2CTSK
SCHEMBL30738894 0.78 CTSC (0.47) CTSCCTSK

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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