Sugi Predict

Sugi Predict / Compounds / SCHEMBL30658298

SCHEMBL30658298

SCHEMBL30658298

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(C)C

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.71
▸ NPY4R P50391 8/20 0.71
▸ NPY5R Q15761 8/20 0.71
▸ NPY1R P25929 6/20 0.71
▸ CALCR P30988 4/20 0.68
▸ TFPI P10646 4/20 0.65
▸ MAPK8 P45983 1/20 0.64
▸ MAPK9 P45984 1/20 0.64
▸ MAPK10 P53779 1/20 0.64
▸ EP300 Q09472 1/20 0.64
▸ HIF1A Q16665 1/20 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
SCHEMBL30658249 0.95 NPY2R (0.71) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30432502 0.95 NPY2R (0.67) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182982 0.95 NPY2R (0.73) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182994 0.94 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL9717732 0.94 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30658227 0.93 CALCR (0.67) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30433571 0.93 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30578732 0.93 NPY2R (0.74) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29810268 0.93 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30658265 0.93 NPY2R (0.70) NPY2RNPY4RNPY5RNPY1RCALCR

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