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Sugi Predict / Compounds / SCHEMBL29868039

SCHEMBL29868039

SCHEMBL29868039

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

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.70
▸ NPY2R P49146 7/20 0.60
▸ NPY4R P50391 7/20 0.60
▸ NPY5R Q15761 7/20 0.60
▸ NPY1R P25929 5/20 0.60
▸ CRHR1 P34998 1/20 0.60
▸ CRHR2 Q13324 1/20 0.60
▸ HCRTR1 O43613 1/20 0.60
▸ HCRTR2 O43614 1/20 0.60
▸ CCKBR P32239 2/20 0.59
▸ GLP1R P43220 2/20 0.59
▸ EP300 Q09472 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ TFPI P10646 1/20 0.58

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
SCHEMBL30495668 0.92 CALCR (0.74) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30567772 0.92 CALCR (0.74) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658227 0.92 CALCR (0.67) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30607403 0.91 CALCR (0.67) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30906477 0.91 CALCR (0.67) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182878 0.91 CALCR (0.70) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182573 0.90 CALCR (0.66) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31656508 0.90 CALCR (0.78) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182773 0.90 CALCR (0.66) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182798 0.90 CALCR (0.64) 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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