SCHEMBL30006301

SCHEMBL30006301

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.50
▸ C5AR1 P21730 1/20 0.50
▸ APLNR P35414 1/20 0.49
▸ CTSL P07711 3/20 0.48
▸ CTSS P25774 3/20 0.48
▸ CTSK P43235 3/20 0.48
▸ CTSH P09668 1/20 0.48
▸ EPHA2 P29317 2/20 0.47
▸ CXCR4 P61073 2/20 0.46
▸ CALCR P30988 4/20 0.46
▸ KEAP1 Q14145 1/20 0.45
▸ EP300 Q09472 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ NPY1R P25929 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ NPY4R P50391 1/20 0.44
▸ NPY5R Q15761 1/20 0.44

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
SCHEMBL38652641 0.85 F2 (0.59) F2APLNRCALCRNPY1RNPY2R
SCHEMBL30064478 0.84 C5AR1 (0.54) F2C5AR1APLNRCTSLCTSS
SCHEMBL29608084 0.83 APLNR (0.50) F2C5AR1APLNRCALCR
SCHEMBL30930534 0.83 F2 (0.60) F2C5AR1APLNRCTSLCTSS
SCHEMBL29608041 0.83 C5AR1 (0.58) C5AR1APLNRCXCR4
SCHEMBL30398324 0.83 APLNR (0.54) C5AR1APLNRCTSLCTSSCTSK
SCHEMBL29608877 0.83 APLNR (0.50) F2C5AR1APLNRCALCR
SCHEMBL29608007 0.82 C5AR1 (0.59) C5AR1APLNRCXCR4
SCHEMBL29608118 0.82 C5AR1 (0.59) C5AR1APLNRCXCR4
SCHEMBL29608099 0.82 APLNR (0.50) F2C5AR1APLNRCTSLCTSS

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-113151386-B Oyster peptide with DPP-IV (dipeptidyl peptidase-IV) inhibition function and preparation method and application thereof 安徽国肽生物科技有限公司 2022-08-16 — — CN disclosed
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