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SCHEMBL29505127

SCHEMBL29505127

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 9/20 0.62
▸ ERAP2 Q6P179 3/20 0.58
▸ KISS1R Q969F8 4/20 0.57
▸ IL1RN P18510 2/20 0.56
▸ ERAP1 Q9NZ08 1/20 0.55

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
SCHEMBL30518838 0.95 ERAP2 (0.61) GHSRERAP2KISS1RIL1RNERAP1
SCHEMBL31720527 0.92 ERAP2 (0.63) GHSRERAP2IL1RNERAP1
SCHEMBL30788023 0.91 ERAP2 (0.63) GHSRERAP2IL1RNERAP1
SCHEMBL31607205 0.91 GHSR (0.62) GHSR
SCHEMBL38652462 0.90 ERAP2 (0.64) GHSRERAP2KISS1RIL1RNERAP1
SCHEMBL31720482 0.90 ERAP2 (0.64) GHSRERAP2IL1RNERAP1
SCHEMBL30507632 0.90 GHSR (0.63) GHSR
SCHEMBL31583852 0.90 ERAP2 (0.63) GHSRERAP2IL1RNERAP1
SCHEMBL29973452 0.90 GHSR (0.67) GHSR
SCHEMBL29378588 0.90 ERAP2 (0.63) GHSRERAP2IL1RNERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315971-A Preparation of antibacterial lipopeptide LP21 and application thereof in treatment of bacterial infection 滨州医学院 2022-04-12 — — CN claimed
CN-117624304-A Preparation and application of antibacterial glycolipid peptide GLIP with broad-spectrum antibacterial activity 滨州医学院 2024-03-01 — — CN disclosed
CN-114315971-A Preparation of antibacterial lipopeptide LP21 and application thereof in treatment of bacterial infection 滨州医学院 2022-04-12 — — CN disclosed
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