Sugi Predict

Sugi Predict / Compounds / SCHEMBL30658302

SCHEMBL30658302

SCHEMBL30658302

CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C)C(C)C)[C@@H](C)O

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 7/20 0.66
▸ GLP1R P43220 8/20 0.65
▸ CCKBR P32239 1/20 0.65
▸ KEAP1 Q14145 2/20 0.65
▸ RXFP1 Q9HBX9 1/20 0.64

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
SCHEMBL30495686 0.93 PTH1R (0.67) PTH1RGLP1RCCKBRKEAP1RXFP1
SCHEMBL31099255 0.92 GLP1R (0.75) PTH1RGLP1RCCKBRKEAP1
SCHEMBL30658384 0.91 RXFP1 (0.71) PTH1RGLP1RCCKBRKEAP1RXFP1
SCHEMBL31182447 0.91 PTH1R (0.73) PTH1RGLP1RCCKBRKEAP1RXFP1
SCHEMBL30657454 0.90 GLP1R (0.75) PTH1RGLP1RCCKBR
SCHEMBL30658365 0.90 PTH1R (0.69) PTH1RGLP1RCCKBRKEAP1RXFP1
SCHEMBL30448747 0.90 PTH1R (0.75) PTH1RGLP1RCCKBRKEAP1RXFP1
SCHEMBL31099253 0.90 GLP1R (0.76) PTH1RGLP1RCCKBR
SCHEMBL31140017 0.90 GLP1R (0.77) GLP1RCCKBR
SCHEMBL29540315 0.90 GLP1R (0.76) PTH1RGLP1RCCKBR

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
Send feedback