SCHEMBL11811768

SCHEMBL11811768

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.54
▸ GHSR Q92847 3/20 0.53
▸ EDNRA P25101 1/20 0.53
▸ KMT2A Q03164 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ACE P12821 2/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ CASP4 P49662 1/20 0.49
▸ CASP5 P51878 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ CASP9 P55211 1/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ CASP8 Q14790 1/20 0.49
▸ CASP10 Q92851 1/20 0.49
▸ KISS1R Q969F8 2/20 0.48
▸ ERAP2 Q6P179 1/20 0.48
▸ CTSB P07858 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ MMP1 P03956 1/20 0.47

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
SCHEMBL30092934 0.96 GHSR (0.58) MAGI3GHSREDNRAPCSK9
SCHEMBL30093012 0.94 MAGI3 (0.54) MAGI3EDNRAKMT2AL3MBTL1ACE
SCHEMBL30093068 0.94 MAGI3 (0.54) MAGI3EDNRAKMT2AL3MBTL1ACE
SCHEMBL30130527 0.94 MAGI3 (0.54) MAGI3EDNRAKMT2AL3MBTL1ACE
SCHEMBL30093078 0.93 MAGI3 (0.56) MAGI3GHSREDNRAKMT2AL3MBTL1
SCHEMBL30325341 0.93 GHSR (0.59) GHSRACEKISS1RERAP2
SCHEMBL30130532 0.92 MAGI3 (0.54) MAGI3EDNRAKMT2AL3MBTL1ACE
SCHEMBL30092978 0.92 EDNRA (0.55) MAGI3EDNRAKMT2AL3MBTL1ACE
SCHEMBL8660686 0.92 MAGI3 (0.50) MAGI3EDNRAKMT2AL3MBTL1ACE
SCHEMBL30093121 0.92 GHSR (0.54) MAGI3GHSRACEKISS1R

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
US-3951741-A Process and apparatus for the synthesis of peptides by use of n-carboxyanhydrides PFAENDER PETER 1976-04-20 — — US disclosed
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