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SCHEMBL30320521

SCHEMBL30320521

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

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.60
▸ NPY2R P49146 8/20 0.59
▸ NPY4R P50391 8/20 0.59
▸ NPY5R Q15761 8/20 0.59
▸ NPY1R P25929 6/20 0.59
▸ F2 P00734 4/20 0.57
▸ AGTR1 P30556 1/20 0.53
▸ AGTR2 P50052 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
SCHEMBL31182956 0.90 NPY2R (0.65) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29867671 0.88 F2 (0.62) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658245 0.88 CALCR (0.71) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31603945 0.88 CALCR (0.64) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495626 0.87 NPY2R (0.68) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31387945 0.87 CALCR (0.62) CALCRF2
SCHEMBL29679766 0.87 NPY2R (0.59) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182783 0.87 CALCR (0.63) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30607327 0.87 NPY2R (0.61) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29349981 0.87 NPY2R (0.70) NPY2RNPY4RNPY5RNPY1RF2

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-111269289-B Tumor cell affinity peptide separated from venenum bufonis and screening method thereof 南京中医药大学 2023-04-18 — — CN disclosed
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