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SCHEMBL30666381

SCHEMBL30666381

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 2/20 0.65
▸ NPY1R P25929 1/20 0.65
▸ NPY2R P49146 1/20 0.65
▸ NPY4R P50391 1/20 0.65
▸ NPY5R Q15761 1/20 0.65
▸ CXCR4 P61073 4/20 0.63
▸ GLP1R P43220 11/20 0.63
▸ GIPR P48546 6/20 0.63
▸ GCGR P47871 3/20 0.63
▸ RAMP3 O60896 1/20 0.61
▸ CALCR P30988 1/20 0.61

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
SCHEMBL30843901 0.96 GLP1R (0.65) CALCANPY1RNPY2RNPY4RNPY5R
SCHEMBL30666385 0.94 NPY1R (0.69) CALCANPY1RNPY2RNPY4RNPY5R
SCHEMBL30843895 0.90 NPY1R (0.69) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31664364 0.89 NPY1R (0.67) CALCANPY1RNPY2RNPY4RNPY5R
SCHEMBL31182780 0.89 C5AR1 (0.66) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30666394 0.89 CXCR4 (0.63) CALCANPY1RNPY2RNPY4RNPY5R
SCHEMBL30527897 0.89 NPY1R (0.68) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30666364 0.88 NPY2R (0.69) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL38654334 0.88 NPY2R (0.70) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182897 0.88 CXCR4 (0.71) NPY1RNPY2RNPY4RNPY5RCXCR4

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-117143197-A Peptides for targeted expression of Nectin-4 cells for treating cancers and application thereof 主流源生物科技(上海)有限公司 2023-12-01 — — CN claimed
CN-117143197-A Peptides for targeted expression of Nectin-4 cells for treating cancers and application thereof 主流源生物科技(上海)有限公司 2023-12-01 — — CN disclosed
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