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SCHEMBL2157922

SCHEMBL2157922

O=[C][C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 4/20 0.39
▸ GART P22102 6/20 0.38
▸ TYMS P04818 3/20 0.35
▸ ATIC P31939 3/20 0.35
▸ FOLH1 Q04609 6/20 0.34
▸ SLC15A2 Q16348 1/20 0.34
▸ SLC6A5 Q9Y345 1/20 0.34

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 0.90 NOD1 (0.43) NOD1GARTTYMSATICFOLH1
SCHEMBL14167513 0.89 NOD1 (0.46) NOD1GARTTYMSATICFOLH1
SCHEMBL14167462 0.89 NOD1 (0.46) NOD1GARTTYMSATICFOLH1
SCHEMBL2150241 0.88 GART (0.42) NOD1GARTTYMSATICFOLH1
SCHEMBL2193829 0.85 SLC15A2 (0.35) GARTTYMSATICFOLH1SLC15A2
SCHEMBL19051472 0.81 SLC6A5 (0.39) GARTSLC6A5
SCHEMBL29870996 0.80 SLC15A2 (0.44) GARTTYMSATICFOLH1SLC15A2
SCHEMBL31265388 0.80 SLC15A2 (0.44) GARTTYMSATICFOLH1SLC15A2
SCHEMBL18381363 0.79 MMP1 (0.43) —
SCHEMBL7807950 0.79 SLC15A2 (0.49) GARTFOLH1SLC15A2

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-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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