SCHEMBL30533191

SCHEMBL30533191

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.61
▸ ERAP2 Q6P179 1/20 0.53
▸ GHSR Q92847 4/20 0.52
▸ MAGI3 Q5TCQ9 1/20 0.52
▸ CASP1 P29466 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ CASP4 P49662 1/20 0.52
▸ CASP5 P51878 1/20 0.52
▸ CASP7 P55210 1/20 0.52
▸ CASP9 P55211 1/20 0.52
▸ CASP6 P55212 1/20 0.52
▸ CASP8 Q14790 1/20 0.52
▸ CASP10 Q92851 1/20 0.52
▸ KMT2A Q03164 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CCKAR P32238 1/20 0.51
▸ CCKBR P32239 1/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ ACE P12821 2/20 0.51
▸ PCSK9 Q8NBP7 1/20 0.50

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
SCHEMBL30512728 0.92 EDNRA (0.58) EDNRAERAP2GHSRMAGI3CASP1
SCHEMBL29680130 0.90 EDNRA (0.56) EDNRAGHSRMAGI3CASP1CASP3
SCHEMBL29941186 0.90 EDNRA (0.64) EDNRAERAP2GHSRMAGI3CASP1
SCHEMBL29940975 0.90 EDNRA (0.64) EDNRAERAP2GHSRMAGI3CASP1
SCHEMBL30533184 0.89 EDNRA (0.76) EDNRAERAP2KMT2AL3MBTL1ACE
SCHEMBL30533180 0.89 EDNRA (0.68) EDNRAERAP2MAGI3CASP1CASP3
SCHEMBL31556110 0.89 EDNRA (0.62) EDNRAERAP2MAGI3PCSK9
SCHEMBL30577908 0.89 EDNRA (0.63) EDNRAERAP2MAGI3CASP1CASP3
SCHEMBL31714527 0.88 EDNRA (0.58) EDNRAERAP2MAGI3
SCHEMBL31286299 0.88 GHSR (0.58) EDNRAGHSRMAGI3CASP1CASP3

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-116731106-A Synthetic hexapeptide, composition and application thereof 深圳市维琪科技股份有限公司 2023-09-12 — — CN claimed
CN-116731106-A Synthetic hexapeptide, composition and application thereof 深圳市维琪科技股份有限公司 2023-09-12 — — CN disclosed
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