SCHEMBL30505875

SCHEMBL30505875

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 11/20 0.45
▸ SCTR P47872 1/20 0.45
▸ CALCR P30988 4/20 0.44
▸ TFPI P10646 1/20 0.43
▸ GCGR P47871 1/20 0.42
▸ VIPR1 P32241 1/20 0.42
▸ PTH1R Q03431 1/20 0.42
▸ CRHR1 P34998 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42

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
SCHEMBL30720019 0.93 GLP1R (0.47) GLP1RSCTRCALCRTFPIGCGR
SCHEMBL30539512 0.90 SLC15A2 (0.42) —
SCHEMBL30505876 0.89 CCNA2 (0.44) GLP1RSCTRGCGRVIPR1
SCHEMBL30080759 0.87 APLNR (0.42) GLP1RSCTRCALCR
SCHEMBL30720017 0.87 BACE1 (0.46) GLP1RSCTR
SCHEMBL30888267 0.86 BACE1 (0.46) GLP1RSCTRCALCR
SCHEMBL29381746 0.86 APLNR (0.41) GLP1RSCTRGCGR
SCHEMBL30720018 0.86 BACE1 (0.45) GLP1RSCTR
SCHEMBL31041723 0.86 BACE1 (0.47) GLP1RSCTRGCGR
SCHEMBL31041712 0.86 CRHR1 (0.39) GLP1RSCTRCALCRGCGRCRHR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116675757-A Narrow-spectrum antibacterial peptide AWK14 synthesized based on large yellow croaker CENPW and application thereof 福建农林大学 2023-09-01 — — CN claimed
CN-116675757-A Narrow-spectrum antibacterial peptide AWK14 synthesized based on large yellow croaker CENPW and application thereof 福建农林大学 2023-09-01 — — CN disclosed
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