SCHEMBL27357425

SCHEMBL27357425

O=C(CCCCC1SCC2NC(=O)NC21)NCCOCCNC(=O)NC12CC3CC1CC(NCC(=O)N1Cc4cc(F)c(F)cc4C1)(C3)C2

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP8 Q6V1X1 8/20 0.85
▸ DPP9 Q86TI2 8/20 0.85
▸ PKM P14618 2/20 0.45
▸ F2 P00734 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ TPSAB1 Q15661 1/20 0.44
▸ FOLH1 Q04609 3/20 0.42
▸ NOXO1 Q8NFA2 1/20 0.40
▸ L3MBTL3 Q96JM7 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDR P35968 1/20 0.40

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
SCHEMBL27357407 0.94 DPP8 (0.86) DPP8DPP9PKMF2PRSS1
SCHEMBL30685093 0.92 DPP8 (1.00) DPP8DPP9PKMF2PRSS1
SCHEMBL30685059 0.92 DPP8 (1.00) DPP8DPP9PKMF2PRSS1
SCHEMBL27356699 0.87 DPP8 (1.00) DPP8DPP9PKMF2PRSS1
SCHEMBL30685245 0.87 DPP8 (1.00) DPP8DPP9PKMF2PRSS1
SCHEMBL30685180 0.87 DPP8 (1.00) DPP8DPP9PKMF2PRSS1
SCHEMBL27358585 0.86 DPP8 (0.78) DPP8DPP9PKMF2PRSS1
SCHEMBL27358583 0.86 DPP8 (0.70) DPP8DPP9PKMF2PRSS1
SCHEMBL30685020 0.86 DPP8 (1.00) DPP8DPP9PKMF2PRSS1
SCHEMBL30685045 0.82 DPP8 (1.00) DPP8DPP9PKMF2PRSS1

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-2023233024-A1 DPP9 BINDING COMPOUNDS UNIVERSITEIT ANTWERPEN (BE) 2023-12-07 — — WO disclosed
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