SCHEMBL29799996

SCHEMBL29799996

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

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC15A2 Q16348 1/20 0.44
▸ C5AR1 P21730 2/20 0.36
▸ NTSR2 O95665 1/20 0.35
▸ NTSR1 P30989 1/20 0.35
▸ ECE1 P42892 1/20 0.35

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
SCHEMBL30148442 0.99 SLC15A2 (0.45) SLC15A2C5AR1NTSR2NTSR1ECE1
SCHEMBL29732685 0.94 SLC15A2 (0.44) SLC15A2C5AR1NTSR2NTSR1
SCHEMBL31265395 0.90 SLC15A2 (0.48) SLC15A2C5AR1ECE1
SCHEMBL29014883 0.90 SLC15A2 (0.42) SLC15A2ECE1
SCHEMBL31472587 0.90 SLC15A2 (0.42) SLC15A2ECE1
SCHEMBL2356070 0.89 SLC15A2 (0.48) SLC15A2ECE1
SCHEMBL2356076 0.89 SLC15A2 (0.48) SLC15A2ECE1
SCHEMBL30974339 0.89 SLC15A2 (0.51) SLC15A2C5AR1
SCHEMBL30600995 0.89 SLC15A2 (0.39) SLC15A2
SCHEMBL29381521 0.88 BACE1 (0.40) SLC15A2

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
WO-2022173981-A1 INTRAVENOUS ADMINISTRATION OF ENGINEERED ANTIMICROBIAL AMPHIPHILIC PEPTIDES PEPTILOGICS, INC. (US) 2022-08-18 — — WO disclosed
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