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Sugi Predict / Compounds / SCHEMBL30658198

SCHEMBL30658198

SCHEMBL30658198

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)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@@H](C)O)[C@@H](C)O)[C@@H](C)O)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)O)[C@@H](C)O

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.70
▸ CRHR1 P34998 1/20 0.63
▸ CRHR2 Q13324 1/20 0.63
▸ HCRTR1 O43613 1/20 0.58
▸ HCRTR2 O43614 1/20 0.58
▸ OPRM1 P35372 2/20 0.57
▸ OPRD1 P41143 2/20 0.57
▸ OPRK1 P41145 2/20 0.57
▸ CCKBR P32239 4/20 0.57
▸ GLP1R P43220 4/20 0.57
▸ NPY2R P49146 2/20 0.55
▸ NPY4R P50391 2/20 0.55
▸ NPY5R Q15761 2/20 0.55
▸ NPY1R P25929 1/20 0.55

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
SCHEMBL30658358 0.94 CALCR (0.77) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL31656508 0.91 CALCR (0.78) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL31182792 0.91 CALCR (0.76) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30658236 0.89 CALCR (0.70) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30495801 0.89 CALCR (0.76) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL2448723 0.88 CALCR (0.67) CALCRCRHR1CRHR2CCKBRGLP1R
SCHEMBL2450964 0.88 CALCR (0.68) CALCRCRHR1CRHR2CCKBRGLP1R
SCHEMBL29558891 0.88 CALCR (0.68) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30726573 0.88 CALCR (0.62) CALCROPRM1OPRD1OPRK1CCKBR
SCHEMBL30567772 0.88 CALCR (0.74) CALCRCRHR1CRHR2HCRTR1HCRTR2

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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