SCHEMBL29883115

SCHEMBL29883115

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

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.59
▸ IL23R Q5VWK5 3/20 0.58
▸ CXCR4 P61073 9/20 0.57
▸ CTSL P07711 2/20 0.56
▸ CTSS P25774 2/20 0.56
▸ CTSK P43235 2/20 0.56
▸ CTSH P09668 1/20 0.56
▸ NPY1R P25929 1/20 0.56
▸ NPY2R P49146 1/20 0.56
▸ NPY4R P50391 1/20 0.56
▸ NPY5R Q15761 1/20 0.56
▸ MC4R P32245 2/20 0.54
▸ MC5R P33032 2/20 0.54
▸ MC3R P41968 2/20 0.54
▸ MC1R Q01726 2/20 0.54
▸ TACR1 P25103 1/20 0.53
▸ NPBWR1 P48145 1/20 0.53

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
SCHEMBL30880883 0.92 NPY1R (0.61) C5AR1IL23RCXCR4NPY1RNPY2R
SCHEMBL30578735 0.91 NPY2R (0.64) C5AR1IL23RCXCR4CTSLCTSS
SCHEMBL30317539 0.89 KISS1R (0.55) C5AR1IL23RCXCR4CTSLCTSS
SCHEMBL30816280 0.88 NPY1R (0.65) C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL29555997 0.87 C5AR1 (0.60) C5AR1IL23RMC4RMC5RMC3R
SCHEMBL30350095 0.87 CXCR4 (0.61) C5AR1IL23RCXCR4CTSLCTSS
SCHEMBL30518167 0.86 C5AR1 (0.69) C5AR1IL23RCXCR4MC4RMC5R
SCHEMBL31593371 0.86 CXCR4 (0.60) C5AR1IL23RCXCR4CTSLCTSS
SCHEMBL31593268 0.86 CXCR4 (0.58) C5AR1IL23RCXCR4CTSLCTSS
SCHEMBL29556709 0.85 C5AR1 (0.61) C5AR1IL23RMC4RMC5RMC3R

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
US-11453886-B2 Virus-like particles and uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-09-27 — — US disclosed
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