SCHEMBL30575503

SCHEMBL30575503

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

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.59
▸ CXCR4 P61073 11/20 0.57
▸ MC4R P32245 2/20 0.54
▸ MC5R P33032 2/20 0.54
▸ MC3R P41968 2/20 0.54
▸ MC1R Q01726 2/20 0.54
▸ IL23R Q5VWK5 1/20 0.53
▸ RXFP4 Q8TDU9 1/20 0.52
▸ RXFP3 Q9NSD7 1/20 0.52
▸ DPP3 Q9NY33 2/20 0.52
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ NPY4R P50391 1/20 0.52
▸ NPY5R Q15761 1/20 0.52
▸ OPRM1 P35372 1/20 0.51
▸ OPRD1 P41143 1/20 0.51

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
SCHEMBL29428971 0.93 C5AR1 (0.66) C5AR1CXCR4MC4RMC5RMC3R
SCHEMBL30432210 0.90 C5AR1 (0.66) C5AR1CXCR4MC4RMC5RMC3R
SCHEMBL30371655 0.89 CXCR4 (0.60) C5AR1CXCR4MC4RMC5RMC3R
SCHEMBL31462084 0.87 C5AR1 (0.59) C5AR1CXCR4MC4RMC5RMC3R
SCHEMBL30343341 0.87 DPP3 (0.55) C5AR1CXCR4DPP3NPY1RNPY2R
SCHEMBL29924507 0.87 CXCR4 (0.57) C5AR1CXCR4DPP3NPY1RNPY2R
SCHEMBL30261964 0.86 CXCR4 (0.60) C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL30867029 0.86 CXCR4 (0.63) C5AR1CXCR4MC4RMC5RMC3R
SCHEMBL30205377 0.86 CXCR4 (0.61) C5AR1CXCR4IL23R
SCHEMBL30526212 0.85 C5AR1 (0.59) C5AR1CXCR4MC4RMC5RMC3R

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-114044807-B Mussel hypolipidemic oligopeptide for treating hyperlipidemia 浙江海洋大学 2023-08-22 — — CN claimed
CN-114044807-B Mussel hypolipidemic oligopeptide for treating hyperlipidemia 浙江海洋大学 2023-08-22 — — CN disclosed
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