SCHEMBL31383723

SCHEMBL31383723

CCCC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP8 Q6V1X1 2/20 0.51
▸ DPP7 Q9UHL4 2/20 0.51
▸ SLC15A1 P46059 1/20 0.47
▸ NOD1 Q9Y239 4/20 0.47
▸ MME P08473 4/20 0.43
▸ CA2 P00918 1/20 0.42
▸ TGFBR1 P36897 3/20 0.41
▸ GNPAT O15228 1/20 0.40
▸ NMT2 O60551 2/20 0.39
▸ NMT1 P30419 2/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39

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
SCHEMBL29476436 0.89 DPP7 (0.58) DPP8DPP7SLC15A1NOD1MME
SCHEMBL15757005 0.89 DPP7 (0.58) DPP8DPP7SLC15A1NOD1MME
SCHEMBL29898351 0.89 DPP7 (0.58) DPP8DPP7SLC15A1NOD1MME
SCHEMBL15757004 0.89 DPP7 (0.58) DPP8DPP7SLC15A1NOD1MME
SCHEMBL29727649 0.87 NMT1 (0.52) NOD1MMENMT2NMT1
SCHEMBL30552905 0.85 MME (0.51) DPP8DPP7NOD1MMECA2
SCHEMBL30452082 0.85 MME (0.51) DPP8DPP7NOD1MMECA2
SCHEMBL7123861 0.85 MME (0.54) DPP8DPP7NOD1MMECA2
SCHEMBL7123863 0.85 MME (0.54) DPP8DPP7NOD1MMECA2
SCHEMBL4561648 0.85 MME (0.54) DPP8DPP7NOD1MMECA2

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
EP-3830284-B1 BACTERIAL VAGINOSIS DIAGNOSTIC MOLOGIC LTD (GB) 2025-02-19 — — EP disclosed
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