SCHEMBL31374718

SCHEMBL31374718

CNS(=O)(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.50
▸ FOLH1 Q04609 2/20 0.48
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ GNPAT O15228 1/20 0.41
▸ NOD1 Q9Y239 3/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ SLC15A2 Q16348 1/20 0.39
▸ CPB2 Q96IY4 7/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ GSR P00390 1/20 0.37

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
SCHEMBL30795011 0.82 SLC6A5 (0.57) SLC6A5FOLH1CA1CA2GNPAT
SCHEMBL30645373 0.78 SLC6A5 (0.56) SLC6A5FOLH1GNPATNOD1SLC15A2
SCHEMBL31374736 0.78 FOLH1 (0.41) FOLH1NOD1
SCHEMBL29539958 0.77 FOLH1 (0.57) SLC6A5FOLH1CA1CA2GNPAT
SCHEMBL30795713 0.77 SLC6A5 (0.52) SLC6A5FOLH1GNPATNOD1SLC15A2
SCHEMBL3215126 0.77 FOLH1 (0.60) SLC6A5FOLH1CA1CA2GNPAT
SCHEMBL3843262 0.77 FOLH1 (0.60) SLC6A5FOLH1CA1CA2GNPAT
SCHEMBL468889 0.77 SLC6A5 (0.54) SLC6A5FOLH1GNPATNOD1SLC15A2
SCHEMBL468887 0.77 SLC6A5 (0.54) SLC6A5FOLH1GNPATNOD1SLC15A2
SCHEMBL19385942 0.76 SLC6A5 (0.59) SLC6A5FOLH1CA1CA2GNPAT

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
CN-113301920-B Complexes comprising a ligand, a spacer, a peptide linker and a biomolecule 安斯泰来制药株式会社 2025-01-14 — — CN disclosed
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