SCHEMBL30867029

SCHEMBL30867029

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 13/20 0.63
▸ C5AR1 P21730 1/20 0.61
▸ KEAP1 Q14145 1/20 0.60
▸ OPRD1 P41143 1/20 0.57
▸ NPY1R P25929 1/20 0.56
▸ NPY2R P49146 1/20 0.56
▸ NPY4R P50391 1/20 0.56
▸ NPY5R Q15761 1/20 0.56
▸ IL23R Q5VWK5 1/20 0.56
▸ MC4R P32245 1/20 0.56
▸ MC5R P33032 1/20 0.56
▸ MC3R P41968 1/20 0.56
▸ MC1R Q01726 1/20 0.56

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
SCHEMBL30439395 0.91 OPRD1 (0.67) CXCR4C5AR1OPRD1NPY1RNPY2R
SCHEMBL30432210 0.91 C5AR1 (0.66) CXCR4C5AR1KEAP1NPY1RNPY2R
SCHEMBL30867019 0.90 CXCR4 (0.61) CXCR4C5AR1IL23RMC4RMC5R
SCHEMBL31622298 0.89 C5AR1 (0.68) CXCR4C5AR1OPRD1NPY1RNPY2R
SCHEMBL30130559 0.89 NPBWR1 (0.62) KEAP1IL23R
SCHEMBL30093090 0.89 PCSK9 (0.61) CXCR4KEAP1IL23R
SCHEMBL30093024 0.89 PCSK9 (0.61) CXCR4KEAP1IL23R
SCHEMBL30092938 0.89 PCSK9 (0.61) CXCR4KEAP1IL23R
SCHEMBL30092908 0.89 PCSK9 (0.61) CXCR4KEAP1IL23R
SCHEMBL30508526 0.89 CXCR4 (0.58) CXCR4C5AR1NPY1RNPY2RNPY4R

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-117964703-A Antibacterial peptide, derivative and application thereof 福州大学 2024-05-03 — — CN claimed
CN-117964703-A Antibacterial peptide, derivative and application thereof 福州大学 2024-05-03 — — CN disclosed
CN-117964703-A Antibacterial peptide, derivative and application thereof 福州大学 2024-05-03 — — CN disclosed
Send feedback