Sugi Predict

Sugi Predict / Compounds / SCHEMBL30658305

SCHEMBL30658305

SCHEMBL30658305

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

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.67
▸ NPY2R P49146 1/20 0.67
▸ NPY4R P50391 1/20 0.67
▸ NPY5R Q15761 1/20 0.67
▸ CALCR P30988 3/20 0.64
▸ CXCR4 P61073 2/20 0.64
▸ GLP1R P43220 9/20 0.63
▸ RXFP1 Q9HBX9 1/20 0.60
▸ KEAP1 Q14145 1/20 0.60
▸ PTH1R Q03431 1/20 0.60
▸ CCKBR P32239 2/20 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
SCHEMBL30658222 0.95 NPY1R (0.69) NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL30658213 0.94 NPY2R (0.70) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30658195 0.93 CALCR (0.65) NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL30658310 0.93 CALCR (0.63) NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL30658324 0.90 NPY2R (0.71) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30567700 0.90 CALCR (0.66) NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL30658318 0.90 CXCR4 (0.68) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30658391 0.90 NPY2R (0.70) NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL31182986 0.90 PTH1R (0.68) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31073551 0.90 NPY1R (0.69) NPY1RNPY2RNPY4RNPY5RCALCR

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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