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SCHEMBL30437122

SCHEMBL30437122

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.64
▸ NPY4R P50391 8/20 0.64
▸ NPY5R Q15761 8/20 0.64
▸ NPY1R P25929 6/20 0.64
▸ GLP1R P43220 5/20 0.60
▸ CALCR P30988 3/20 0.59
▸ PTH1R Q03431 1/20 0.56

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
SCHEMBL29360287 0.91 NPY2R (0.71) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30567689 0.90 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30495784 0.90 NPY2R (0.70) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30028547 0.89 CALCR (0.65) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30495808 0.89 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30495665 0.89 CALCR (0.65) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30607450 0.88 CALCR (0.67) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30435943 0.88 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30495779 0.88 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182858 0.88 NPY2R (0.61) NPY2RNPY4RNPY5RNPY1RGLP1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116103323-B Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof 安徽中医药大学 2024-10-22 — — CN disclosed
CN-116103323-A Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof 安徽中医药大学 2023-05-12 — — CN disclosed
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