SCHEMBL31095677

SCHEMBL31095677

Cn1c(=O)oc2ccc(-c3ccc4cc(CC(N)C#N)ccc4c3)cc21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 11/20 0.45
▸ KCNJ1 P48048 4/20 0.39
▸ GPR55 Q9Y2T6 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.36
▸ PGR P06401 2/20 0.35
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL30738968 0.91 CTSC (0.52) CTSCKCNJ1GPR55KCNH2
SCHEMBL16932293 0.91 CTSC (0.52) CTSCKCNJ1GPR55KCNH2
SCHEMBL21985824 0.91 CTSC (0.52) CTSCKCNJ1GPR55KCNH2
SCHEMBL30538029 0.91 CTSC (0.52) CTSCKCNJ1GPR55KCNH2
Hydrochloric Acid SCHEMBL30738866 0.90 CTSC (0.51) CTSCKCNJ1GPR55KCNH2
SCHEMBL31095681 0.87 CTSC (0.42) CTSCKCNJ1GPR55HRH3PGR
SCHEMBL31095822 0.87 CTSC (0.42) CTSCKCNJ1GPR55HRH3PGR
SCHEMBL31095743 0.85 CTSC (0.40) CTSCKCNJ1GPR55KCNH2
SCHEMBL31095558 0.85 CTSC (0.40) CTSCKCNJ1GPR55PGRKCNH2
SCHEMBL24981841 0.84 CTSC (0.42) CTSCKCNJ1GPR55

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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