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Sugi Predict / Compounds / SCHEMBL30658337

SCHEMBL30658337

SCHEMBL30658337

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](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)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)[C@@H](C)O)C(C)C

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.60
▸ NPY4R P50391 8/20 0.60
▸ NPY5R Q15761 8/20 0.60
▸ NPY1R P25929 6/20 0.60
▸ GLP1R P43220 4/20 0.59
▸ CALCR P30988 3/20 0.58
▸ CXCR4 P61073 1/20 0.57
▸ CRHR1 P34998 1/20 0.56
▸ CRHR2 Q13324 1/20 0.56
▸ EP300 Q09472 1/20 0.55
▸ HIF1A Q16665 1/20 0.55

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
SCHEMBL30277957 0.91 NPY2R (0.58) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182981 0.91 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30176438 0.91 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30495607 0.90 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30648446 0.90 NPY2R (0.58) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30658378 0.90 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30906352 0.90 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30658199 0.90 NPY2R (0.63) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30658338 0.89 CALCR (0.63) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL31182888 0.89 NPY2R (0.63) NPY2RNPY4RNPY5RNPY1RCALCR

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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