SCHEMBL30242254

SCHEMBL30242254

CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 7/20 0.46
▸ NPY4R P50391 7/20 0.46
▸ NPY5R Q15761 7/20 0.46
▸ NPY1R P25929 5/20 0.46
▸ CALCRL Q16602 1/20 0.45
▸ XIAP P98170 1/20 0.45
▸ NTSR2 O95665 2/20 0.43
▸ NTSR1 P30989 2/20 0.43
▸ SORT1 Q99523 2/20 0.43
▸ AGTR1 P30556 1/20 0.43

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
SCHEMBL29474443 0.90 XIAP (0.47) CALCRLXIAPNTSR2NTSR1SORT1
SCHEMBL10691557 0.87 CALCRL (0.47) NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL30242234 0.87 CALCRL (0.48) NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL30630163 0.84 NTSR2 (0.52) XIAPNTSR2NTSR1SORT1AGTR1
SCHEMBL30277901 0.84 NPY2R (0.55) NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL30974101 0.84 CALCRL (0.46) NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL10693642 0.84 RAMP3 (0.49) NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL29352283 0.84 MAPK8 (0.49) NPY2RNPY4RNPY5RNPY1RNTSR2
SCHEMBL9436274 0.84 CALCRL (0.45) CALCRLNTSR2NTSR1SORT1
SCHEMBL9436235 0.84 CALCRL (0.45) CALCRLNTSR2NTSR1SORT1

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-115697069-A Hypoallergenic recombinant milk proteins and compositions comprising the same 完美日股份有限公司 2023-02-03 — — CN disclosed
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