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SCHEMBL30436941

SCHEMBL30436941

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

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 3/20 0.64
▸ NPY2R P49146 8/20 0.61
▸ NPY4R P50391 8/20 0.61
▸ NPY5R Q15761 8/20 0.61
▸ NPY1R P25929 6/20 0.61
▸ EP300 Q09472 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ MAPK8 P45983 1/20 0.60
▸ MAPK9 P45984 1/20 0.60
▸ MAPK10 P53779 1/20 0.60
▸ CRHR1 P34998 1/20 0.59
▸ CRHR2 Q13324 1/20 0.59
▸ TFPI P10646 1/20 0.59
▸ GLP1R P43220 2/20 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
SCHEMBL30975049 0.91 CALCR (0.65) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29588486 0.90 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30495665 0.90 CALCR (0.65) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182717 0.90 CALCR (0.68) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30028547 0.90 CALCR (0.65) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658405 0.90 CALCR (0.69) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29479776 0.89 MAPK8 (0.62) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29754385 0.89 MAPK8 (0.64) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658393 0.89 NPY2R (0.68) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182915 0.89 CALCR (0.72) CALCRCRHR1CRHR2GLP1R

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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