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SCHEMBL30658258

SCHEMBL30658258

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(C)C)C(C)C)C(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](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 7/20 0.69
▸ GLP1R P43220 8/20 0.68
▸ CCKBR P32239 1/20 0.68
▸ GCGR P47871 1/20 0.66
▸ GIPR P48546 1/20 0.66
▸ KEAP1 Q14145 1/20 0.65
▸ ECE1 P42892 1/20 0.65
▸ MUS81 Q96NY9 1/20 0.65
▸ RXFP1 Q9HBX9 2/20 0.65
▸ IL23R Q5VWK5 2/20 0.63

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
SCHEMBL29429571 0.94 PTH1R (0.72) PTH1RGLP1RCCKBRGCGRGIPR
SCHEMBL30404098 0.93 PTH1R (0.72) PTH1RGLP1RCCKBRGCGRGIPR
SCHEMBL29429591 0.93 GLP1R (0.76) PTH1RGLP1RCCKBRGCGRGIPR
SCHEMBL30431880 0.92 PTH1R (0.71) PTH1RGLP1RCCKBRGCGRGIPR
SCHEMBL31694503 0.91 PTH1R (0.72) PTH1RGLP1RCCKBRGCGRGIPR
SCHEMBL30432072 0.91 GLP1R (0.66) PTH1RGLP1RCCKBRECE1MUS81
SCHEMBL30299221 0.91 GLP1R (0.73) PTH1RGLP1RCCKBRGCGRGIPR
SCHEMBL29669652 0.90 RXFP1 (0.77) PTH1RGLP1RCCKBRGCGRGIPR
SCHEMBL30773792 0.90 RXFP1 (0.77) PTH1RGLP1RCCKBRGCGRGIPR
SCHEMBL31169784 0.90 IL23R (0.69) GLP1RCCKBRGCGRGIPRIL23R

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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