SCHEMBL29706318

SCHEMBL29706318

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 3/20 0.54
▸ F2 P00734 4/20 0.53
▸ CRHR1 P34998 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ APLNR P35414 2/20 0.51
▸ CXCL8 P10145 5/20 0.51
▸ CTSL P07711 3/20 0.49
▸ CTSS P25774 3/20 0.49
▸ CTSK P43235 3/20 0.49
▸ CTSH P09668 1/20 0.49

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
SCHEMBL30495679 0.90 CALCR (0.55) CALCRF2CRHR1CRHR2APLNR
SCHEMBL29374929 0.88 APLNR (0.61) CALCRCRHR1CRHR2APLNRCTSL
SCHEMBL30648441 0.87 CALCR (0.56) CALCRF2CRHR1CRHR2CXCL8
SCHEMBL29461520 0.86 CALCR (0.61) CALCRF2CRHR1CRHR2APLNR
SCHEMBL30495667 0.86 CALCR (0.67) CALCRCRHR1CRHR2
SCHEMBL31119149 0.86 F2 (0.52) CALCRF2APLNRCXCL8
SCHEMBL29674857 0.85 F2 (0.52) CALCRF2CRHR1CRHR2APLNR
SCHEMBL29446768 0.84 CALCR (0.58) CALCRF2CRHR1CRHR2APLNR
SCHEMBL29555153 0.84 F2 (0.46) CALCRF2APLNR
SCHEMBL31232527 0.83 APLNR (0.46) CALCRF2CRHR1CRHR2APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573664-B Anti-oxidation tridecape of clindamianum as well as preparation method and application thereof 福州大学 2023-11-21 — — CN claimed
CN-114573664-A Clinacanthus nutans antioxidant tridecapeptide as well as preparation method and application thereof 福州大学 2022-06-03 — — CN claimed
CN-114573664-B Anti-oxidation tridecape of clindamianum as well as preparation method and application thereof 福州大学 2023-11-21 — — CN disclosed
CN-114573664-A Clinacanthus nutans antioxidant tridecapeptide as well as preparation method and application thereof 福州大学 2022-06-03 — — CN disclosed
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