SCHEMBL2150241

SCHEMBL2150241

O=C(O)CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GART P22102 5/20 0.42
▸ NOD1 Q9Y239 2/20 0.42
▸ TYMS P04818 2/20 0.39
▸ ATIC P31939 2/20 0.39
▸ FOLH1 Q04609 7/20 0.38
▸ SLC15A2 Q16348 1/20 0.38
▸ NAALAD2 Q9Y3Q0 2/20 0.38
▸ SLC6A5 Q9Y345 1/20 0.38

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
SCHEMBL14167626 0.98 NOD1 (0.43) GARTNOD1TYMSATICFOLH1
SCHEMBL14167513 0.95 NOD1 (0.46) GARTNOD1TYMSATICFOLH1
SCHEMBL14167462 0.95 NOD1 (0.46) GARTNOD1TYMSATICFOLH1
SCHEMBL2157922 0.88 NOD1 (0.39) GARTNOD1TYMSATICFOLH1
SCHEMBL19051570 0.88 NAALAD2 (0.39) FOLH1SLC15A2NAALAD2
SCHEMBL31265388 0.87 SLC15A2 (0.44) GARTTYMSATICFOLH1SLC15A2
SCHEMBL29870996 0.87 SLC15A2 (0.44) GARTTYMSATICFOLH1SLC15A2
SCHEMBL30716920 0.87 SLC6A5 (0.52) NOD1FOLH1SLC15A2SLC6A5
SCHEMBL19051472 0.87 SLC6A5 (0.39) GARTSLC6A5
SCHEMBL31265389 0.86 SLC15A2 (0.51) FOLH1SLC15A2SLC6A5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2340261-A1 AMYLIN DERIVATIVES Novo Nordisk A/S (DK) 2011-07-06 — — EP claimed
WO-2010046357-A1 AMYLIN DERIVATIVES NOVO NORDISK A/S (DK) 2010-04-29 — — WO claimed
EP-2340261-A1 AMYLIN DERIVATIVES Novo Nordisk A/S (DK) 2011-07-06 — — EP disclosed
WO-2010046357-A1 AMYLIN DERIVATIVES NOVO NORDISK A/S (DK) 2010-04-29 — — WO disclosed
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