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SCHEMBL29716758

SCHEMBL29716758

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 4/20 0.60
▸ OPRD1 P41143 7/20 0.59
▸ GLP1R P43220 4/20 0.59
▸ CCKBR P32239 2/20 0.59
▸ TACR1 P25103 1/20 0.57
▸ NPY1R P25929 1/20 0.57
▸ NPY2R P49146 1/20 0.57
▸ NPY4R P50391 1/20 0.57
▸ NPY5R Q15761 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
SCHEMBL30712940 0.89 GLP1R (0.68) CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL30320533 0.89 CXCR4 (0.60) CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL30567706 0.88 GLP1R (0.70) CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL29416084 0.88 NPY1R (0.65) CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL30958882 0.87 CALCR (0.69) GLP1RCCKBRNPY1RNPY2RNPY4R
SCHEMBL29728180 0.87 C5AR1 (0.60) CXCR4OPRD1GLP1RNPY1RNPY2R
SCHEMBL29811065 0.87 NPY2R (0.71) GLP1RCCKBRNPY1RNPY2RNPY4R
SCHEMBL31656488 0.87 NPY1R (0.66) CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL30132230 0.87 OPRD1 (0.70) OPRD1NPY1R
SCHEMBL31000885 0.87 GLP1R (0.66) CXCR4GLP1RCCKBRNPY1RNPY2R

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
EP-4034153-A1 MODIFIED VESICULAR STOMATITIS VIRUS GLYCOPROTEIN AND USES THEREOF FOR THE TREATMENT OF BRAIN TUMORS Université catholique de Louvain (BE) 2022-08-03 — — EP disclosed
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