SCHEMBL31411096

SCHEMBL31411096

CC(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.60
▸ IL23R Q5VWK5 2/20 0.58
▸ MC4R P32245 2/20 0.52
▸ MC5R P33032 2/20 0.52
▸ MC3R P41968 2/20 0.52
▸ MC1R Q01726 2/20 0.52
▸ KISS1R Q969F8 4/20 0.52
▸ CXCR4 P61073 2/20 0.51
▸ CXCL8 P10145 5/20 0.50
▸ OPRM1 P35372 2/20 0.50
▸ OPRK1 P41145 2/20 0.50
▸ DPP3 Q9NY33 1/20 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
SCHEMBL29853539 0.97 C5AR1 (0.62) C5AR1IL23RMC4RMC5RMC3R
SCHEMBL31411094 0.94 C5AR1 (0.63) C5AR1IL23RMC4RMC5RMC3R
SCHEMBL29853326 0.93 C5AR1 (0.63) C5AR1IL23RMC4RMC5RMC3R
SCHEMBL13144634 0.91 C5AR1 (0.60) C5AR1IL23RMC4RMC5RMC3R
SCHEMBL29853485 0.89 C5AR1 (0.62) C5AR1IL23RMC4RMC5RMC3R
SCHEMBL29547115 0.88 C5AR1 (0.60) C5AR1KISS1RCXCR4DPP3
SCHEMBL30518034 0.88 IL23R (0.64) C5AR1IL23RMC4RMC5RMC3R
SCHEMBL31665911 0.86 CXCR4 (0.61) C5AR1IL23RMC4RMC5RMC3R
SCHEMBL13144891 0.86 KISS1R (0.58) C5AR1IL23RMC4RMC5RMC3R
SCHEMBL30711762 0.86 C5AR1 (0.55) C5AR1IL23RKISS1RCXCR4DPP3

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-119488606-A Three-segment self-assembled composite polypeptide nanoparticle for targeted restoration of endothelial barrier and regulation of immune recruitment cascade, and preparation method and application thereof 重庆医科大学附属口腔医院 2025-02-21 — — CN claimed
CN-119488606-A Three-segment self-assembled composite polypeptide nanoparticle for targeted restoration of endothelial barrier and regulation of immune recruitment cascade, and preparation method and application thereof 重庆医科大学附属口腔医院 2025-02-21 — — CN disclosed
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