Sugi Predict

Sugi Predict / Compounds / SCHEMBL30658211

SCHEMBL30658211

SCHEMBL30658211

CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.71
▸ GLP1R P43220 4/20 0.68
▸ GCGR P47871 3/20 0.68
▸ CRHR1 P34998 1/20 0.68
▸ CRHR2 Q13324 1/20 0.68
▸ NPY2R P49146 7/20 0.62
▸ NPY4R P50391 7/20 0.62
▸ NPY5R Q15761 7/20 0.62
▸ NPY1R P25929 5/20 0.62
▸ TFPI P10646 2/20 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
SCHEMBL30432942 0.94 CALCR (0.68) CALCRGLP1RGCGRCRHR1CRHR2
SCHEMBL30219064 0.92 CALCR (0.71) CALCRGLP1RGCGRCRHR1CRHR2
SCHEMBL30231506 0.92 CALCR (0.71) CALCRGLP1RGCGRCRHR1CRHR2
SCHEMBL30231481 0.92 CALCR (0.71) CALCRGLP1RGCGRCRHR1CRHR2
SCHEMBL30219087 0.92 CALCR (0.71) CALCRGLP1RGCGRCRHR1CRHR2
SCHEMBL30565137 0.92 CALCR (0.76) CALCRGLP1RGCGRCRHR1CRHR2
SCHEMBL30884870 0.91 CALCR (0.75) CALCRGLP1RGCGRCRHR1CRHR2
Acetic Acid SCHEMBL30219057 0.91 CALCR (0.70) CALCRGLP1RGCGRCRHR1CRHR2
Acetic Acid SCHEMBL30219038 0.91 CALCR (0.70) CALCRGLP1RGCGRCRHR1CRHR2
Acetic Acid SCHEMBL30219088 0.91 CALCR (0.70) CALCRGLP1RGCGRCRHR1CRHR2

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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