Sugi Predict

Sugi Predict / Compounds / SCHEMBL30658207

SCHEMBL30658207

SCHEMBL30658207

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 6/20 0.73
▸ HCRTR1 O43613 1/20 0.68
▸ HCRTR2 O43614 1/20 0.68
▸ F2 P00734 4/20 0.64
▸ CRHR1 P34998 1/20 0.62
▸ CRHR2 Q13324 1/20 0.62
▸ CCKBR P32239 2/20 0.61
▸ GLP1R P43220 2/20 0.61
▸ EP300 Q09472 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ NPY2R P49146 2/20 0.57
▸ NPY4R P50391 2/20 0.57
▸ NPY5R Q15761 2/20 0.57
▸ NPY1R P25929 1/20 0.57

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
SCHEMBL30658200 0.94 CALCR (0.71) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL29599159 0.90 CALCR (0.75) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL29903351 0.90 CALCR (0.71) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL31000946 0.90 CALCR (0.64) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL30432045 0.89 CALCR (0.65) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL31182828 0.89 CALCR (0.71) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL30648485 0.89 CALCR (0.66) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL30712880 0.89 CALCR (0.61) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL29812782 0.89 CALCR (0.68) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL30432477 0.88 CALCR (0.78) CALCRHCRTR1HCRTR2F2CRHR1

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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