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Sugi Predict / Compounds / SCHEMBL30658307

SCHEMBL30658307

SCHEMBL30658307

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.65
▸ NPY2R P49146 1/20 0.65
▸ NPY4R P50391 1/20 0.65
▸ NPY5R Q15761 1/20 0.65
▸ CXCR4 P61073 4/20 0.64
▸ GLP1R P43220 10/20 0.62
▸ CCKBR P32239 2/20 0.61
▸ IL23R Q5VWK5 1/20 0.60
▸ CALCA P06881 1/20 0.60
▸ ECE1 P42892 1/20 0.59
▸ MUS81 Q96NY9 1/20 0.59
▸ C5AR1 P21730 1/20 0.59
▸ GCGR P47871 1/20 0.59

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
SCHEMBL30666385 0.91 NPY1R (0.69) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30658376 0.90 NPY1R (0.70) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31105498 0.90 NPY1R (0.72) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182503 0.90 NPY2R (0.72) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30843895 0.89 NPY1R (0.69) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658240 0.89 NPY2R (0.74) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30843901 0.89 GLP1R (0.65) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31232412 0.89 NPY1R (0.68) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182921 0.89 NPY2R (0.76) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30658244 0.88 NPY2R (0.76) NPY1RNPY2RNPY4RNPY5RGLP1R

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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