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SCHEMBL30648494

SCHEMBL30648494

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

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.65
▸ GLP1R P43220 6/20 0.60
▸ CCKBR P32239 4/20 0.60
▸ CXCR4 P61073 2/20 0.60
▸ CXCL8 P10145 4/20 0.60
▸ KEAP1 Q14145 1/20 0.59
▸ NPY1R P25929 1/20 0.59
▸ NPY2R P49146 1/20 0.59
▸ NPY4R P50391 1/20 0.59
▸ NPY5R Q15761 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
SCHEMBL29742988 0.90 CALCR (0.59) CALCRGLP1RCXCL8KEAP1NPY1R
SCHEMBL31182837 0.89 CXCR4 (0.67) CALCRGLP1RCCKBRCXCR4KEAP1
SCHEMBL30648485 0.89 CALCR (0.66) CALCR
SCHEMBL30176434 0.89 CALCR (0.70) CALCRGLP1RCCKBRNPY1RNPY2R
SCHEMBL30607355 0.89 CALCR (0.65) CALCRGLP1RCCKBRCXCR4NPY1R
SCHEMBL30578730 0.88 NPY1R (0.70) CALCRGLP1RCXCR4CXCL8NPY1R
SCHEMBL31452902 0.88 CXCR4 (0.59) CALCRGLP1RCXCR4CXCL8KEAP1
SCHEMBL31000946 0.88 CALCR (0.64) CALCRGLP1RNPY1RNPY2RNPY4R
SCHEMBL31182478 0.88 NPY1R (0.67) CALCRGLP1RCCKBRNPY1RNPY2R
SCHEMBL30906427 0.88 NPY1R (0.65) CALCRGLP1RNPY1RNPY2RNPY4R

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-116948034-B Active type heterophagy antibody blocker Block-5S and preparation method thereof 南京珀尔泰生物技术有限公司 2024-06-25 — — CN disclosed
CN-116948034-A Active type heterophagy antibody blocker Block-5S and preparation method thereof 南京珀尔泰生物技术有限公司 2023-10-27 — — CN disclosed
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