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SCHEMBL29867646

SCHEMBL29867646

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCSC)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.62
▸ CRHR1 P34998 1/20 0.58
▸ CRHR2 Q13324 1/20 0.58
▸ BACE1 P56817 1/20 0.54
▸ NPY2R P49146 7/20 0.53
▸ NPY4R P50391 7/20 0.53
▸ NPY5R Q15761 7/20 0.53
▸ NPY1R P25929 5/20 0.53
▸ KEAP1 Q14145 1/20 0.52
▸ GLP1R P43220 1/20 0.52
▸ OPRD1 P41143 1/20 0.52

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
SCHEMBL30028547 0.89 CALCR (0.65) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL11598563 0.89 CALCR (0.71) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182638 0.88 CALCR (0.64) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30199068 0.87 CALCR (0.65) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29723134 0.87 CALCR (0.58) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL11667495 0.87 CALCR (0.70) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30567771 0.87 CALCR (0.64) CALCRCRHR1CRHR2OPRD1
SCHEMBL31182658 0.86 CALCR (0.70) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30938250 0.86 CALCR (0.67) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29370426 0.86 CALCR (0.67) CALCRNPY2RNPY4RNPY5RNPY1R

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-114921435-B Ornithine acetyltransferase mutant, encoding gene, plasmid, genetically engineered bacterium and application 南通紫琅生物医药科技有限公司 2023-08-29 — — CN disclosed
CN-114921435-A Ornithine acetyltransferase mutant, coding gene, plasmid, gene engineering bacterium and application 南通紫琅生物医药科技有限公司 2022-08-19 — — CN disclosed
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