SCHEMBL30093069

SCHEMBL30093069

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.59
▸ CTSB P07858 2/20 0.56
▸ CTSK P43235 2/20 0.56
▸ PCSK9 Q8NBP7 2/20 0.56
▸ ERAP2 Q6P179 2/20 0.54
▸ MAGI3 Q5TCQ9 1/20 0.53
▸ TLR2 O60603 3/20 0.53
▸ GHSR Q92847 3/20 0.52
▸ NPBWR1 P48145 2/20 0.52
▸ KISS1R Q969F8 1/20 0.51
▸ IL1RN P18510 1/20 0.51
▸ ERAP1 Q9NZ08 1/20 0.51
▸ ECE1 P42892 2/20 0.50

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
SCHEMBL30130581 0.96 EDNRA (0.59) EDNRACTSBCTSKPCSK9ERAP2
SCHEMBL30093006 0.95 EDNRA (0.61) EDNRACTSBCTSKPCSK9ERAP2
SCHEMBL30092974 0.94 EDNRA (0.61) EDNRACTSBCTSKPCSK9ERAP2
SCHEMBL30874407 0.94 ERAP2 (0.58) CTSBCTSKERAP2GHSRNPBWR1
SCHEMBL29706172 0.93 NPBWR1 (0.56) EDNRACTSBCTSKPCSK9MAGI3
SCHEMBL30093045 0.93 RXFP1 (0.57) EDNRACTSBCTSKPCSK9TLR2
SCHEMBL30093094 0.93 NPBWR1 (0.58) EDNRACTSBCTSKPCSK9ERAP2
SCHEMBL30092892 0.93 EDNRA (0.68) EDNRACTSBCTSKERAP2MAGI3
SCHEMBL30092989 0.93 EDNRA (0.68) EDNRACTSBCTSKERAP2MAGI3
SCHEMBL30929763 0.92 ERAP2 (0.58) EDNRACTSBCTSKERAP2GHSR

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 2 patents. 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 claimed
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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