SCHEMBL30544197

SCHEMBL30544197

C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 2/20 0.55
▸ KISS1R Q969F8 3/20 0.54
▸ IL23R Q5VWK5 1/20 0.54
▸ C5AR1 P21730 1/20 0.53
▸ CCKBR P32239 1/20 0.53
▸ MC4R P32245 1/20 0.51
▸ MC5R P33032 1/20 0.51
▸ MC3R P41968 1/20 0.51
▸ MC1R Q01726 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ TACR1 P25103 1/20 0.51
▸ DPP3 Q9NY33 1/20 0.51
▸ NPY1R P25929 1/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ NPY4R P50391 1/20 0.51
▸ NPY5R Q15761 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
SCHEMBL30497472 0.90 CXCR4 (0.55) CXCR4C5AR1CCKBROPRM1OPRD1
SCHEMBL29465231 0.86 CXCR4 (0.56) CXCR4KISS1RC5AR1CCKBROPRD1
SCHEMBL30320533 0.86 CXCR4 (0.60) CXCR4CCKBRNPY1RNPY2RNPY4R
SCHEMBL31575686 0.86 OPRD1 (0.59) OPRM1OPRD1
SCHEMBL30507888 0.85 DPP3 (0.57) CXCR4KISS1RIL23RTACR1DPP3
SCHEMBL30665991 0.84 CXCR4 (0.60) CXCR4C5AR1OPRM1OPRD1TACR1
SCHEMBL30903278 0.84 MC4R (0.59) IL23RC5AR1MC4RMC5RMC3R
SCHEMBL31619567 0.83 IL23R (0.57) KISS1RIL23RTACR1DPP3
SCHEMBL31670611 0.83 IL23R (0.57) IL23RC5AR1MC4RMC5RMC3R
SCHEMBL30974025 0.83 OPRM1 (0.58) OPRM1OPRD1

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-116715724-B Antioxidant peptide derived from fruiting body of straw mushroom and application thereof 上海市农业科学院 2024-03-15 — — CN disclosed
CN-116715724-A Antioxidant peptide derived from fruiting body of straw mushroom and application thereof 上海市农业科学院 2023-09-08 — — CN disclosed
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