SCHEMBL31095814

SCHEMBL31095814

Cn1c(=O)oc2ccc(-c3ccc4sc(CC(N)C#N)cc4c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 8/20 0.40
▸ GPR55 Q9Y2T6 2/20 0.36
▸ KCNJ1 P48048 6/20 0.35
▸ S1PR5 Q9H228 2/20 0.33
▸ SCD5 Q86SK9 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CTSK P43235 1/20 0.32
▸ PGR P06401 1/20 0.32

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
SCHEMBL31095686 0.92 CTSC (0.40) CTSCGPR55KCNJ1SCD5KCNH2
SCHEMBL31095587 0.86 CTSC (0.38) CTSCGPR55KCNJ1SCD5CTSK
SCHEMBL31095743 0.84 CTSC (0.40) CTSCGPR55KCNJ1SCD5KCNH2
SCHEMBL31095677 0.82 CTSC (0.45) CTSCGPR55KCNJ1KCNH2PGR
SCHEMBL31095681 0.82 CTSC (0.42) CTSCGPR55KCNJ1KCNH2PGR
SCHEMBL24981561 0.82 CTSC (0.40) CTSCGPR55KCNJ1SCD5CTSK
SCHEMBL29455578 0.82 CTSC (0.40) CTSCGPR55KCNJ1SCD5CTSK
SCHEMBL16932293 0.82 CTSC (0.52) CTSCGPR55KCNJ1KCNH2
SCHEMBL21985824 0.82 CTSC (0.52) CTSCGPR55KCNJ1KCNH2
SCHEMBL30538029 0.82 CTSC (0.52) CTSCGPR55KCNJ1KCNH2

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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