Sugi Predict

Sugi Predict / Compounds / SCHEMBL30345070

SCHEMBL30345070

SCHEMBL30345070

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=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](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(N)=O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.61
▸ PTH1R Q03431 7/20 0.58
▸ CALCA P06881 2/20 0.58
▸ GLP1R P43220 7/20 0.58
▸ RXFP4 Q8TDU9 1/20 0.57
▸ RXFP3 Q9NSD7 1/20 0.57
▸ GCGR P47871 1/20 0.56
▸ GIPR P48546 1/20 0.56
▸ CXCR4 P61073 1/20 0.56

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
SCHEMBL30432210 0.90 C5AR1 (0.66) C5AR1PTH1RCALCAGLP1RCXCR4
SCHEMBL30310773 0.88 GLP1R (0.67) PTH1RGLP1RGCGRGIPRCXCR4
SCHEMBL31021136 0.88 GLP1R (0.67) GLP1RGCGRGIPRCXCR4
SCHEMBL13734948 0.87 KEAP1 (0.62) C5AR1PTH1RCALCAGLP1RGCGR
SCHEMBL31622298 0.87 C5AR1 (0.68) C5AR1GLP1RCXCR4
Cecropin Ad SCHEMBL29842479 0.87 NPY1R (0.68) CALCAGLP1RGCGRGIPR
SCHEMBL30750752 0.86 GLP1R (0.73) GLP1RGCGRGIPR
SCHEMBL31467365 0.86 GLP1R (0.67) GLP1RGIPR
SCHEMBL29880262 0.86 PTH1R (0.63) PTH1RCALCAGLP1RGCGRGIPR
SCHEMBL30864786 0.86 C5AR1 (0.59) C5AR1PTH1RCXCR4

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
CN-115925981-A Specific targeting gram-negative bacteria antibacterial peptide and application thereof 河南工业大学 2023-04-07 — — CN disclosed
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