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Sugi Predict / Compounds / SCHEMBL30658362

SCHEMBL30658362

SCHEMBL30658362

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NMBR P28336 2/20 0.65
▸ GRPR P30550 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
▸ GLP1R P43220 9/20 0.64
▸ GCGR P47871 4/20 0.64
▸ CALCR P30988 4/20 0.63
▸ CCKBR P32239 2/20 0.63
▸ C5AR1 P21730 1/20 0.61
▸ CALCA P06881 1/20 0.60
▸ GIPR P48546 3/20 0.60

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
SCHEMBL30571153 0.97 NMBR (0.65) NMBRGRPRNPY1RNPY2RNPY4R
SCHEMBL30495677 0.93 NPY1R (0.72) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29588160 0.93 CALCR (0.66) NMBRGRPRNPY1RNPY2RNPY4R
SCHEMBL29587876 0.93 CALCR (0.65) NMBRGRPRNPY1RNPY2RNPY4R
SCHEMBL29588702 0.92 CALCR (0.64) NMBRGRPRNPY1RNPY2RNPY4R
SCHEMBL29588042 0.91 CALCR (0.65) NMBRGRPRNPY1RNPY2RNPY4R
SCHEMBL30658235 0.91 NPY2R (0.73) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29588523 0.91 CALCR (0.68) NMBRGRPRNPY1RNPY2RNPY4R
SCHEMBL31073551 0.91 NPY1R (0.69) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31603934 0.90 NMBR (0.63) NMBRGRPRNPY1RNPY2RNPY4R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753627-B2 Dengue tetravalent vaccine containing a common 30 nucleotide deletion in the 3′-UTR of dengue types 1,2,3, and 4, or antigenic chimeric dengue viruses 1,2,3, and 4 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-12 — — US disclosed
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