SCHEMBL31411094

SCHEMBL31411094

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.63
▸ CXCR4 P61073 5/20 0.53
▸ TACR1 P25103 1/20 0.52
▸ IL23R Q5VWK5 2/20 0.51
▸ DPP3 Q9NY33 1/20 0.51
▸ KISS1R Q969F8 1/20 0.51
▸ NTSR2 O95665 1/20 0.49
▸ NTSR1 P30989 1/20 0.49
▸ SORT1 Q99523 1/20 0.49
▸ MC4R P32245 2/20 0.48
▸ MC5R P33032 2/20 0.48
▸ MC3R P41968 2/20 0.48
▸ MC1R Q01726 2/20 0.48
▸ CCKAR P32238 1/20 0.48
▸ CCKBR P32239 1/20 0.48
▸ F2 P00734 1/20 0.48
▸ OPRM1 P35372 1/20 0.47

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
SCHEMBL29853326 0.96 C5AR1 (0.63) C5AR1CXCR4TACR1IL23RDPP3
SCHEMBL31411096 0.94 C5AR1 (0.60) C5AR1CXCR4IL23RDPP3KISS1R
SCHEMBL29853539 0.93 C5AR1 (0.62) C5AR1CXCR4IL23RDPP3KISS1R
SCHEMBL29547115 0.92 C5AR1 (0.60) C5AR1CXCR4TACR1DPP3KISS1R
SCHEMBL29853485 0.91 C5AR1 (0.62) C5AR1CXCR4TACR1IL23RMC4R
SCHEMBL31376716 0.90 CXCR4 (0.55) C5AR1CXCR4TACR1IL23RDPP3
SCHEMBL29500468 0.88 C5AR1 (0.59) C5AR1CXCR4TACR1DPP3KISS1R
SCHEMBL30711762 0.87 C5AR1 (0.55) C5AR1CXCR4TACR1IL23RDPP3
SCHEMBL29476405 0.87 KISS1R (0.55) C5AR1CXCR4IL23RDPP3KISS1R
SCHEMBL29476509 0.87 KISS1R (0.55) C5AR1CXCR4IL23RDPP3KISS1R

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 1 patent. 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 disclosed
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