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Sugi Predict / Compounds / SCHEMBL30658339

SCHEMBL30658339

SCHEMBL30658339

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

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.73
▸ APLNR P35414 1/20 0.64
▸ CRHR1 P34998 1/20 0.64
▸ CRHR2 Q13324 1/20 0.64
▸ CXCR4 P61073 1/20 0.63
▸ GLP1R P43220 7/20 0.62
▸ KEAP1 Q14145 1/20 0.62
▸ GCGR P47871 5/20 0.60
▸ GIPR P48546 5/20 0.60
▸ TFPI P10646 1/20 0.60
▸ CCKBR P32239 1/20 0.60

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
SCHEMBL30658226 0.94 CALCR (0.77) CALCRCRHR1CRHR2GLP1RKEAP1
SCHEMBL31182467 0.93 CALCR (0.73) CALCRAPLNRCRHR1CRHR2CXCR4
SCHEMBL31168252 0.91 CALCR (0.73) CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL6437853 0.91 CALCR (0.73) CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL29895442 0.91 CALCR (0.73) CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL30358145 0.91 CALCR (0.68) CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL29724187 0.91 CALCR (0.79) CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL30565140 0.91 CALCR (0.68) CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL30565138 0.91 CALCR (0.68) CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL30524366 0.90 CALCR (0.70) CALCRAPLNRCRHR1CRHR2CXCR4

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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