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SCHEMBL30658195

SCHEMBL30658195

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

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 3/20 0.65
▸ KEAP1 Q14145 1/20 0.62
▸ CXCR4 P61073 2/20 0.62
▸ NPY1R P25929 1/20 0.62
▸ NPY2R P49146 1/20 0.62
▸ NPY4R P50391 1/20 0.62
▸ NPY5R Q15761 1/20 0.62
▸ PTH1R Q03431 6/20 0.61
▸ GLP1R P43220 4/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.59

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
SCHEMBL30658305 0.93 NPY1R (0.67) CALCRKEAP1CXCR4NPY1RNPY2R
SCHEMBL30658310 0.93 CALCR (0.63) CALCRCXCR4NPY1RNPY2RNPY4R
SCHEMBL30658318 0.91 CXCR4 (0.68) KEAP1CXCR4NPY1RNPY2RNPY4R
SCHEMBL30658222 0.91 NPY1R (0.69) CALCRCXCR4NPY1RNPY2RNPY4R
SCHEMBL31182986 0.91 PTH1R (0.68) KEAP1CXCR4NPY1RNPY2RNPY4R
SCHEMBL31182892 0.90 CALCR (0.66) CALCRNPY1RNPY2RNPY4RNPY5R
SCHEMBL31182638 0.89 CALCR (0.64) CALCRKEAP1CXCR4NPY1RNPY2R
SCHEMBL31182766 0.89 PTH1R (0.73) KEAP1CXCR4NPY1RNPY2RNPY4R
SCHEMBL29679866 0.89 NPY1R (0.72) CALCRNPY1RNPY2RNPY4RNPY5R
SCHEMBL29949750 0.89 GLP1R (0.64) CALCRKEAP1NPY1RNPY2RNPY4R

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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