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SCHEMBL30658247

SCHEMBL30658247

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N(C)[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)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)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.61
▸ GLP1R P43220 9/20 0.58
▸ PTH1R Q03431 2/20 0.57
▸ CALCR P30988 3/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.55
▸ CCKBR P32239 1/20 0.55
▸ CRHR1 P34998 1/20 0.55
▸ CRHR2 Q13324 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
SCHEMBL30435350 0.89 GLP1R (0.62) KEAP1GLP1RCALCRCCKBRCRHR1
SCHEMBL30658293 0.88 CALCR (0.65) KEAP1GLP1RPTH1RCALCRRXFP1
SCHEMBL29520076 0.88 GLP1R (0.67) KEAP1GLP1RPTH1RCALCRCCKBR
SCHEMBL30176460 0.88 GLP1R (0.57) KEAP1GLP1R
SCHEMBL30658288 0.88 GLP1R (0.64) KEAP1GLP1RPTH1RCALCRRXFP1
SCHEMBL30979202 0.87 GLP1R (0.64) KEAP1GLP1RPTH1RCALCRCCKBR
SCHEMBL30529017 0.87 PTH1R (0.65) KEAP1GLP1RPTH1RCALCRRXFP1
SCHEMBL30432587 0.87 GLP1R (0.66) GLP1R
SCHEMBL29586748 0.87 KEAP1 (0.66) KEAP1GLP1RPTH1RCALCRRXFP1
SCHEMBL30387584 0.86 GLP1R (0.65) KEAP1GLP1RPTH1RCALCRCCKBR

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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