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SCHEMBL30658396

SCHEMBL30658396

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 9/20 0.67
▸ NPY4R P50391 8/20 0.67
▸ NPY5R Q15761 8/20 0.67
▸ NPY1R P25929 7/20 0.67
▸ EP300 Q09472 1/20 0.64
▸ HIF1A Q16665 1/20 0.64
▸ CALCR P30988 4/20 0.62
▸ TFPI P10646 3/20 0.61

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
SCHEMBL30495766 0.91 NPY2R (0.67) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30432021 0.90 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL29988048 0.90 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30618027 0.90 NPY2R (0.67) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30400505 0.90 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30436455 0.90 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30495583 0.90 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL31182445 0.89 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30607348 0.89 NPY2R (0.62) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL31182662 0.89 NPY2R (0.68) 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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