Sugi Predict

Sugi Predict / Compounds / SCHEMBL30658358

SCHEMBL30658358

SCHEMBL30658358

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.77
▸ CRHR1 P34998 1/20 0.67
▸ CRHR2 Q13324 1/20 0.67
▸ NPY2R P49146 7/20 0.63
▸ NPY4R P50391 7/20 0.63
▸ NPY5R Q15761 7/20 0.63
▸ NPY1R P25929 5/20 0.63
▸ HCRTR1 O43613 1/20 0.62
▸ HCRTR2 O43614 1/20 0.62
▸ CCKBR P32239 3/20 0.61
▸ GLP1R P43220 3/20 0.61

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
SCHEMBL31656508 0.96 CALCR (0.78) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30495801 0.94 CALCR (0.76) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182792 0.94 CALCR (0.76) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30658198 0.94 CALCR (0.70) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30578729 0.93 CALCR (0.73) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30578734 0.93 CALCR (0.73) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30578733 0.93 CALCR (0.73) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30567772 0.93 CALCR (0.74) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182922 0.93 CALCR (0.71) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL11660011 0.93 CALCR (0.72) CALCRCRHR1CRHR2NPY2RNPY4R

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