SCHEMBL30093121

SCHEMBL30093121

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 3/20 0.54
▸ KISS1R Q969F8 3/20 0.52
▸ ACE P12821 2/20 0.51
▸ IL23R Q5VWK5 2/20 0.51
▸ MAGI3 Q5TCQ9 1/20 0.50
▸ ECE1 P42892 1/20 0.50
▸ SIRT5 Q9NXA8 1/20 0.49

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
SCHEMBL30093138 0.97 GHSR (0.52) GHSRKISS1RACEIL23RMAGI3
SCHEMBL30093070 0.97 GHSR (0.52) GHSRKISS1RACEIL23RMAGI3
SCHEMBL30053472 0.95 ERAP2 (0.56) GHSRKISS1RECE1
SCHEMBL30340404 0.94 KISS1R (0.54) KISS1RACEIL23RMAGI3ECE1
SCHEMBL30305362 0.94 IL23R (0.51) GHSRKISS1RACEIL23RMAGI3
SCHEMBL30130536 0.94 KISS1R (0.56) KISS1RACEIL23RMAGI3ECE1
SCHEMBL30148434 0.94 KISS1R (0.54) KISS1RACEIL23RMAGI3ECE1
SCHEMBL30130564 0.94 KISS1R (0.56) KISS1RACEIL23RMAGI3ECE1
SCHEMBL29732503 0.94 KISS1R (0.54) KISS1RACEIL23RMAGI3ECE1
SCHEMBL30305637 0.94 KISS1R (0.54) KISS1RACEIL23RMAGI3ECE1

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
CN-115397836-A Novel antibacterial peptide and application thereof 安尼根有限公司 2022-11-25 — — CN disclosed
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