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SCHEMBL30658354

SCHEMBL30658354

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.79
▸ GLP1R P43220 8/20 0.71
▸ CCKBR P32239 4/20 0.71
▸ CRHR1 P34998 1/20 0.69
▸ CRHR2 Q13324 1/20 0.69
▸ GCGR P47871 3/20 0.68
▸ NPY1R P25929 1/20 0.67
▸ NPY2R P49146 1/20 0.67
▸ NPY4R P50391 1/20 0.67
▸ NPY5R Q15761 1/20 0.67
▸ NMBR P28336 1/20 0.65
▸ GRPR P30550 1/20 0.65

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
SCHEMBL30658237 0.95 CALCR (0.76) CALCRGLP1RCCKBRGCGRNPY1R
SCHEMBL31148884 0.95 CALCR (0.79) CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL30537032 0.94 CALCR (0.78) CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL30771981 0.94 CALCR (0.77) CALCRGLP1RCCKBRGCGRNPY1R
SCHEMBL31217658 0.94 CALCR (0.75) CALCRGLP1RCCKBRGCGRNPY1R
SCHEMBL30437189 0.94 CALCR (0.74) CALCRGLP1RCCKBRGCGRNPY1R
SCHEMBL30932077 0.94 CALCR (0.76) CALCRGLP1RCCKBRGCGRNPY1R
SCHEMBL29827295 0.93 CALCR (0.73) CALCRGLP1RCCKBRCRHR1CRHR2
SCHEMBL31027131 0.93 CALCR (0.76) CALCRGLP1RCCKBRGCGRNPY1R
SCHEMBL31202689 0.93 CALCR (0.73) CALCRGLP1RCCKBRCRHR1CRHR2

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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