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SCHEMBL30977972

SCHEMBL30977972

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

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 13/20 0.61
▸ KISS1R Q969F8 1/20 0.56
▸ GHSR Q92847 1/20 0.55
▸ EDNRA P25101 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
SCHEMBL31683722 1.00 NPBWR1 (0.61) NPBWR1KISS1RGHSREDNRA
SCHEMBL30977971 0.98 NPBWR1 (0.59) NPBWR1KISS1RGHSREDNRA
SCHEMBL30093094 0.95 NPBWR1 (0.58) NPBWR1KISS1REDNRA
SCHEMBL29555146 0.95 NPBWR1 (0.66) NPBWR1KISS1R
SCHEMBL29555177 0.94 NPBWR1 (0.64) NPBWR1KISS1R
SCHEMBL29706172 0.94 NPBWR1 (0.56) NPBWR1KISS1RGHSREDNRA
SCHEMBL31033142 0.94 GHSR (0.58) NPBWR1GHSREDNRA
SCHEMBL31033140 0.94 GHSR (0.58) NPBWR1KISS1RGHSREDNRA
SCHEMBL29713412 0.94 GHSR (0.58) NPBWR1GHSREDNRA
SCHEMBL30093076 0.92 EDNRA (0.58) NPBWR1KISS1RGHSREDNRA

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-118373882-A Pseudomonas aeruginosa resisting polypeptide, antibacterial polypeptide solution and application 河南科技大学 2024-07-23 — — CN claimed
CN-118373882-A Pseudomonas aeruginosa resisting polypeptide, antibacterial polypeptide solution and application 河南科技大学 2024-07-23 — — CN disclosed
CN-118373882-A Pseudomonas aeruginosa resisting polypeptide, antibacterial polypeptide solution and application 河南科技大学 2024-07-23 — — CN disclosed