Sugi Predict

Sugi Predict / Compounds / SCHEMBL30658230

SCHEMBL30658230

SCHEMBL30658230

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)O)C(C)C

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.79
▸ CRHR1 P34998 1/20 0.73
▸ CRHR2 Q13324 1/20 0.73
▸ HCRTR1 O43613 1/20 0.65
▸ HCRTR2 O43614 1/20 0.65
▸ F2 P00734 4/20 0.64
▸ NPY2R P49146 6/20 0.64
▸ NPY4R P50391 6/20 0.64
▸ NPY5R Q15761 6/20 0.64
▸ NPY1R P25929 4/20 0.64

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
SCHEMBL29767110 0.95 CALCR (0.82) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30658283 0.95 CALCR (0.74) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30932076 0.95 CALCR (0.82) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL31182553 0.94 CALCR (0.79) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30658343 0.92 CALCR (0.81) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL31182920 0.92 CALCR (0.71) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL29767063 0.92 CALCR (0.79) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182543 0.92 CALCR (0.79) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30712965 0.91 CALCR (0.71) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30884870 0.91 CALCR (0.75) 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
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