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Sugi Predict / Compounds / SCHEMBL30658311

SCHEMBL30658311

SCHEMBL30658311

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)C(C)C

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 3/20 0.67
▸ GLP1R P43220 6/20 0.66
▸ PTH1R Q03431 6/20 0.65
▸ CXCR4 P61073 1/20 0.65
▸ GCGR P47871 5/20 0.65
▸ NPY1R P25929 1/20 0.65
▸ NPY2R P49146 1/20 0.65
▸ NPY4R P50391 1/20 0.65
▸ NPY5R Q15761 1/20 0.65
▸ APLNR P35414 1/20 0.64
▸ GIPR P48546 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
SCHEMBL30159330 0.95 CALCR (0.73) CALCRGLP1RGCGRNPY1RNPY2R
SCHEMBL30495625 0.93 CXCR4 (0.67) CALCRGLP1RPTH1RCXCR4GCGR
SCHEMBL30466127 0.92 GLP1R (0.69) CALCRGLP1RCXCR4GCGRNPY1R
SCHEMBL30466130 0.92 GLP1R (0.69) CALCRGLP1RGCGRNPY1RNPY2R
SCHEMBL30658237 0.92 CALCR (0.76) CALCRGLP1RGCGRNPY1RNPY2R
SCHEMBL30466128 0.92 CALCR (0.70) CALCRGLP1RGCGRNPY1RNPY2R
SCHEMBL30437189 0.92 CALCR (0.74) CALCRGLP1RCXCR4GCGRNPY1R
SCHEMBL30932077 0.91 CALCR (0.76) CALCRGLP1RGCGRNPY1RNPY2R
SCHEMBL30658282 0.91 KEAP1 (0.73) CALCRGLP1RGCGRNPY1RNPY2R
SCHEMBL31182500 0.91 CALCR (0.72) CALCRGLP1RNPY1RNPY2RNPY4R

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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