SCHEMBL30919239

SCHEMBL30919239

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

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 9/20 0.61
▸ NPBWR1 P48145 1/20 0.54

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
SCHEMBL31661149 0.98 GHSR (0.61) GHSR
SCHEMBL29511074 0.98 GHSR (0.59) GHSR
SCHEMBL30029017 0.98 GHSR (0.59) GHSR
SCHEMBL29483771 0.97 GHSR (0.56) GHSRNPBWR1
SCHEMBL29483772 0.97 GHSR (0.56) GHSRNPBWR1
SCHEMBL29483773 0.97 GHSR (0.56) GHSRNPBWR1
SCHEMBL29419958 0.96 GHSR (0.61) GHSR
SCHEMBL30878117 0.95 GHSR (0.56) GHSR
SCHEMBL30138656 0.95 GHSR (0.56) GHSRNPBWR1
SCHEMBL30636161 0.95 NPBWR1 (0.58) GHSRNPBWR1

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-118085034-A Broad-spectrum low-drug-resistance amphiphilic antibacterial peptide and application thereof 兰州大学 2024-05-28 — — CN disclosed
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