Sugi Predict

Sugi Predict / Compounds / SCHEMBL29867533

SCHEMBL29867533

SCHEMBL29867533

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

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.65
▸ NPY2R P49146 8/20 0.64
▸ NPY4R P50391 8/20 0.64
▸ NPY5R Q15761 8/20 0.64
▸ NPY1R P25929 6/20 0.64
▸ CRHR1 P34998 1/20 0.59
▸ CRHR2 Q13324 1/20 0.59
▸ TFPI P10646 3/20 0.59
▸ GLP1R P43220 2/20 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
SCHEMBL30658245 0.93 CALCR (0.71) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495646 0.91 CALCR (0.65) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30358171 0.90 CALCR (0.66) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29558891 0.90 CALCR (0.68) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658389 0.89 CALCR (0.68) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30607483 0.89 CALCR (0.59) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30176420 0.88 NPY2R (0.68) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30432109 0.88 CALCR (0.69) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29867671 0.88 F2 (0.62) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182528 0.87 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