SCHEMBL30767710

SCHEMBL30767710

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.54
▸ NPY2R P49146 7/20 0.54
▸ NPY4R P50391 7/20 0.54
▸ NPY5R Q15761 7/20 0.54
▸ NPY1R P25929 5/20 0.54
▸ EP300 Q09472 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ AGTR1 P30556 1/20 0.54
▸ AGTR2 P50052 1/20 0.54
▸ OPRM1 P35372 1/20 0.54
▸ OPRD1 P41143 1/20 0.54
▸ F2 P00734 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
SCHEMBL30804663 0.88 OPRM1 (0.58) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29649200 0.87 CALCR (0.60) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30432672 0.84 CRHR1 (0.57) CALCRAGTR1AGTR2OPRD1F2
SCHEMBL30888269 0.84 NPY2R (0.70) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30804654 0.84 EP300 (0.60) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30726583 0.84 NPY2R (0.62) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29679788 0.84 F2 (0.54) CALCROPRM1OPRD1F2
SCHEMBL30176448 0.84 OPRD1 (0.64) CALCROPRM1OPRD1F2
SCHEMBL30906483 0.83 NPY2R (0.63) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30429340 0.83 OPRM1 (0.60) CALCRNPY2RNPY4RNPY5RNPY1R

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-117327152-A Digestion-resistant linear epitope peptide of penaeus vannamei allergen and application thereof 大连工业大学 2024-01-02 — — CN disclosed
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