Sugi Predict

Sugi Predict / Compounds / SCHEMBL30658237

SCHEMBL30658237

SCHEMBL30658237

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.76
▸ GLP1R P43220 12/20 0.74
▸ NPY1R P25929 1/20 0.71
▸ NPY2R P49146 1/20 0.71
▸ NPY4R P50391 1/20 0.71
▸ NPY5R Q15761 1/20 0.71
▸ GCGR P47871 5/20 0.71
▸ CCKBR P32239 4/20 0.70
▸ KEAP1 Q14145 1/20 0.67
▸ GIPR P48546 2/20 0.67

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 0.96 CALCR (0.73) CALCRGLP1RNPY1RNPY2RNPY4R
SCHEMBL31027131 0.96 CALCR (0.76) CALCRGLP1RNPY1RNPY2RNPY4R
SCHEMBL29843716 0.96 CALCR (0.76) CALCRGLP1RNPY1RNPY2RNPY4R
SCHEMBL30771981 0.96 CALCR (0.77) CALCRGLP1RNPY1RNPY2RNPY4R
SCHEMBL30932077 0.95 CALCR (0.76) CALCRGLP1RNPY1RNPY2RNPY4R
SCHEMBL31202689 0.95 CALCR (0.73) CALCRGLP1RNPY1RNPY2RNPY4R
SCHEMBL30437189 0.95 CALCR (0.74) CALCRGLP1RNPY1RNPY2RNPY4R
SCHEMBL31217658 0.95 CALCR (0.75) CALCRGLP1RNPY1RNPY2RNPY4R
SCHEMBL30658354 0.95 CALCR (0.79) CALCRGLP1RNPY1RNPY2RNPY4R
SCHEMBL29509179 0.95 CALCR (0.74) 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
Send feedback