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SCHEMBL29728183

SCHEMBL29728183

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 7/20 0.61
▸ OPRD1 P41143 4/20 0.60
▸ GLP1R P43220 6/20 0.57
▸ CCKBR P32239 2/20 0.57
▸ C5AR1 P21730 1/20 0.57
▸ GIPR P48546 1/20 0.57

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
SCHEMBL29728180 0.97 C5AR1 (0.60) CXCR4OPRD1GLP1RC5AR1GIPR
SCHEMBL29728181 0.93 OPRD1 (0.67) OPRD1GLP1RGIPR
SCHEMBL29728182 0.90 OPRD1 (0.64) OPRD1GLP1RGIPR
SCHEMBL31000888 0.89 NPY1R (0.68) CXCR4GLP1RCCKBRC5AR1GIPR
SCHEMBL29599104 0.85 NPY1R (0.65) CXCR4GLP1R
SCHEMBL29716758 0.85 CXCR4 (0.60) CXCR4OPRD1GLP1RCCKBR
SCHEMBL31105379 0.85 NPY1R (0.64) CXCR4GLP1RCCKBRC5AR1
SCHEMBL31105498 0.85 NPY1R (0.72) GLP1RC5AR1GIPR
SCHEMBL31683347 0.85 NPY2R (0.71) CXCR4GLP1RC5AR1
SCHEMBL30416165 0.84 CXCR4 (0.63) CXCR4GLP1RCCKBRGIPR

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-114874292-A Multi-target chimeric peptide compound, preparation method and application thereof 南通大学 2022-08-09 — — CN disclosed
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