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SCHEMBL30658405

SCHEMBL30658405

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

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 3/20 0.69
▸ NPY2R P49146 8/20 0.66
▸ NPY4R P50391 8/20 0.66
▸ NPY5R Q15761 8/20 0.66
▸ NPY1R P25929 6/20 0.66
▸ EP300 Q09472 1/20 0.65
▸ HIF1A Q16665 1/20 0.65
▸ TFPI P10646 4/20 0.64
▸ CRHR1 P34998 1/20 0.63
▸ CRHR2 Q13324 1/20 0.63
▸ KEAP1 Q14145 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
SCHEMBL30435977 0.95 CALCR (0.69) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495633 0.93 CALCR (0.62) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658336 0.93 KEAP1 (0.63) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495811 0.93 NPY2R (0.66) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658393 0.93 NPY2R (0.68) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495665 0.92 CALCR (0.65) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182744 0.92 NPY2R (0.67) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30578729 0.92 CALCR (0.73) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30578734 0.92 CALCR (0.73) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30578733 0.92 CALCR (0.73) 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