SCHEMBL30054135

SCHEMBL30054135

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.58
BACE1 P56817 4/20 0.57
ERAP2 Q6P179 2/20 0.56
MAGI3 Q5TCQ9 1/20 0.53
CASP1 P29466 1/20 0.53
CASP3 P42574 1/20 0.53
CASP4 P49662 1/20 0.53
CASP5 P51878 1/20 0.53
CASP7 P55210 1/20 0.53
CASP9 P55211 1/20 0.53
CASP6 P55212 1/20 0.53
CASP8 Q14790 1/20 0.53
CASP10 Q92851 1/20 0.53
OPRD1 P41143 3/20 0.53
CCKAR P32238 1/20 0.53
CCKBR P32239 1/20 0.53
OPRM1 P35372 2/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GHSR Q92847 1/20 0.51

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
SCHEMBL30721568 0.96 EDNRA (0.60) EDNRABACE1ERAP2MAGI3CASP1
SCHEMBL30874380 0.92 EDNRA (0.58) EDNRABACE1ERAP2MAGI3CTSD
SCHEMBL29603848 0.92 ERAP2 (0.62) EDNRAERAP2MAGI3KMT2AL3MBTL1
SCHEMBL29603769 0.92 ERAP2 (0.62) EDNRAERAP2MAGI3KMT2AL3MBTL1
SCHEMBL2193967 0.92 BACE1 (0.51) EDNRABACE1ERAP2MAGI3CASP1
SCHEMBL29375397 0.91 ACE (0.52) EDNRABACE1ERAP2MAGI3CASP1
SCHEMBL30293823 0.91 EDNRA (0.60) EDNRABACE1ERAP2MAGI3CASP1
SCHEMBL29375915 0.91 OPRM1 (0.59) EDNRAMAGI3OPRD1OPRM1KMT2A
SCHEMBL30839334 0.89 EDNRA (0.61) EDNRABACE1ERAP2MAGI3CASP1
SCHEMBL16063027 0.89 GLP1R (0.55) EDNRABACE1ERAP2GHSR

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
US-11518794-B2 Synthesis method for liraglutide with low racemate impurity Shenzhen JYMed Technology Co., Ltd. (CN) 2022-12-06 US claimed
US-11518794-B2 Synthesis method for liraglutide with low racemate impurity Shenzhen JYMed Technology Co., Ltd. (CN) 2022-12-06 US disclosed