Sugi Predict

Sugi Predict / Compounds / SCHEMBL30658357

SCHEMBL30658357

SCHEMBL30658357

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)CN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 6/20 0.75
▸ NPY2R P49146 7/20 0.64
▸ NPY4R P50391 7/20 0.64
▸ NPY5R Q15761 7/20 0.64
▸ NPY1R P25929 5/20 0.64
▸ GLP1R P43220 1/20 0.64
▸ HCRTR1 O43613 1/20 0.64
▸ HCRTR2 O43614 1/20 0.64
▸ CRHR1 P34998 1/20 0.63
▸ CRHR2 Q13324 1/20 0.63
▸ APLNR P35414 1/20 0.63
▸ RAMP3 O60896 1/20 0.62

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
SCHEMBL31182545 0.93 CALCR (0.75) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30686827 0.93 CALCR (0.76) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30686820 0.93 CALCR (0.76) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29494575 0.93 CALCR (0.76) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29652674 0.93 CALCR (0.73) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29416142 0.93 CALCR (0.72) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31148882 0.92 CALCR (0.78) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495810 0.91 CALCR (0.71) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182556 0.91 CALCR (0.70) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30063048 0.91 CALCR (0.75) CALCRNPY2RNPY4RNPY5RNPY1R

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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