SCHEMBL29295701

SCHEMBL29295701

CC1CCCC2(C1)OC(=O)c1ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@@H]4CNCCCCO4)cc3)cc12

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.57
▸ KCNH2 Q12809 3/20 0.57

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
SCHEMBL30987086 0.88 CTSC (0.63) CTSCKCNH2
SCHEMBL31758597 0.86 CTSC (0.64) CTSCKCNH2
SCHEMBL25867653 0.85 CTSC (0.64) CTSCKCNH2
SCHEMBL31758760 0.85 CTSC (0.64) CTSCKCNH2
SCHEMBL25867740 0.84 CTSC (0.63) CTSCKCNH2
SCHEMBL25867780 0.84 CTSC (0.68) CTSCKCNH2
SCHEMBL31758820 0.82 CTSC (0.60) CTSCKCNH2
SCHEMBL25867743 0.79 CTSC (0.60) CTSCKCNH2
SCHEMBL31758802 0.77 CTSC (0.66) CTSCKCNH2
SCHEMBL25865607 0.77 CTSC (0.72) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024148308-A1 NOVEL, REVERSIBLE DPP1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2024-07-11 — — WO disclosed
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