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SCHEMBL30658251

SCHEMBL30658251

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

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 3/20 0.64
▸ CCKBR P32239 1/20 0.64
▸ TFPI P10646 1/20 0.64
▸ VIPR1 P32241 3/20 0.61
▸ VIPR2 P41587 5/20 0.60
▸ ECE1 P42892 1/20 0.58
▸ MUS81 Q96NY9 1/20 0.58
▸ PTH1R Q03431 1/20 0.58
▸ KEAP1 Q14145 1/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.58

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
SCHEMBL30432173 0.93 VIPR1 (0.69) GLP1RCCKBRTFPIVIPR1VIPR2
SCHEMBL30495662 0.92 TFPI (0.69) GLP1RCCKBRTFPIVIPR1VIPR2
SCHEMBL30658242 0.91 TFPI (0.66) GLP1RCCKBRTFPIVIPR1VIPR2
SCHEMBL29430211 0.90 VIPR1 (0.67) GLP1RCCKBRTFPIVIPR1VIPR2
SCHEMBL34139 0.90 GLP1R (0.71) GLP1RCCKBRTFPIVIPR1VIPR2
SCHEMBL29403715 0.90 VIPR1 (0.72) GLP1RCCKBRTFPIVIPR1VIPR2
SCHEMBL197505 0.90 GLP1R (0.71) GLP1RCCKBRTFPIVIPR1VIPR2
SCHEMBL30504369 0.90 GLP1R (0.71) GLP1RCCKBRTFPIVIPR1VIPR2
SCHEMBL30618037 0.90 TFPI (0.61) GLP1RCCKBRTFPIVIPR1VIPR2
SCHEMBL38664796 0.89 VIPR1 (0.67) GLP1RCCKBRTFPIVIPR1VIPR2

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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