SCHEMBL30155353

SCHEMBL30155353

[2H]OC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CN

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC15A2 Q16348 1/20 0.44
▸ FOLH1 Q04609 1/20 0.41
▸ NMT2 O60551 1/20 0.39
▸ NMT1 P30419 1/20 0.39
▸ SLC6A5 Q9Y345 1/20 0.39
▸ CPB2 Q96IY4 5/20 0.37
▸ FURIN P09958 3/20 0.37
▸ GSR P00390 1/20 0.37
▸ SIRT6 Q8N6T7 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.36
▸ ERAP2 Q6P179 1/20 0.36
▸ ERAP1 Q9NZ08 1/20 0.36
▸ LNPEP Q9UIQ6 1/20 0.36

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
SCHEMBL29429290 0.90 SLC15A2 (0.52) SLC15A2FOLH1NMT2NMT1SLC6A5
SCHEMBL30687227 0.87 FOLH1 (0.49) SLC15A2FOLH1NMT2NMT1SLC6A5
Valine SCHEMBL20493565 0.85 SLC15A2 (0.47) SLC15A2FOLH1NMT2NMT1SLC6A5
Valine SCHEMBL18613837 0.85 SLC15A2 (0.47) SLC15A2FOLH1NMT2NMT1SLC6A5
Leucine SCHEMBL20493630 0.83 ERAP2 (0.48) SLC15A2FOLH1NMT2NMT1SLC6A5
Leucine SCHEMBL18613476 0.83 ERAP2 (0.48) SLC15A2FOLH1NMT2NMT1SLC6A5
Isoleucine SCHEMBL18613635 0.82 CPB2 (0.45) SLC15A2FOLH1SLC6A5CPB2NOD1
Isoleucine SCHEMBL20493995 0.82 CPB2 (0.45) SLC15A2FOLH1SLC6A5CPB2NOD1
SCHEMBL30263767 0.81 SLC15A2 (0.47) SLC15A2FOLH1SLC6A5CPB2FURIN
SCHEMBL31202999 0.81 SLC15A2 (0.45) SLC15A2FOLH1SLC6A5CPB2FURIN

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
US-11589603-B2 Powdered nutritional product containing branched-chain amino acids and a sugar alcohol ABBOTT LABORATORIES (US) 2023-02-28 — — US disclosed
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