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Sugi Predict / Compounds / SCHEMBL30658285

SCHEMBL30658285

SCHEMBL30658285

CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=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](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.72
▸ NPY4R P50391 8/20 0.72
▸ NPY5R Q15761 8/20 0.72
▸ NPY1R P25929 6/20 0.72
▸ TFPI P10646 5/20 0.62
▸ MAPK8 P45983 1/20 0.61
▸ MAPK9 P45984 1/20 0.61
▸ MAPK10 P53779 1/20 0.61
▸ KDM1A O60341 2/20 0.61
▸ VIPR2 P41587 2/20 0.60
▸ VIPR1 P32241 1/20 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
SCHEMBL30607416 0.93 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29903370 0.93 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30176436 0.91 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182907 0.91 NPY2R (0.66) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182824 0.91 NPY2R (0.72) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30537478 0.91 NPY2R (0.70) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30437373 0.90 MAPK8 (0.71) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30176453 0.90 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL9843196 0.90 NPY2R (0.63) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL9843188 0.90 NPY2R (0.63) NPY2RNPY4RNPY5RNPY1RTFPI

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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