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SCHEMBL30437124

SCHEMBL30437124

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)CC

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.66
▸ NPY2R P49146 8/20 0.63
▸ NPY4R P50391 8/20 0.63
▸ NPY5R Q15761 8/20 0.63
▸ NPY1R P25929 6/20 0.63
▸ CALCR P30988 4/20 0.62
▸ GLP1R P43220 1/20 0.60
▸ GCGR P47871 1/20 0.60
▸ GIPR P48546 1/20 0.60
▸ NMUR2 Q9GZQ4 1/20 0.59
▸ NMUR1 Q9HB89 1/20 0.59
▸ HCRTR1 O43613 1/20 0.59
▸ HCRTR2 O43614 1/20 0.59

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
SCHEMBL30511771 0.92 CALCR (0.67) F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30537477 0.90 NPY2R (0.65) F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30495635 0.90 NPY2R (0.66) F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30721584 0.89 CALCR (0.72) F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30176412 0.89 MC4R (0.63) F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL31148886 0.89 CALCR (0.70) F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30567015 0.88 CALCR (0.67) F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30495699 0.88 CALCR (0.73) F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL31168252 0.88 CALCR (0.73) F2CALCRGLP1RGCGRGIPR
SCHEMBL30932058 0.88 NPY2R (0.68) F2NPY2RNPY4RNPY5RNPY1R

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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