SCHEMBL30830320

SCHEMBL30830320

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 2/20 0.58
▸ ERBB2 P04626 1/20 0.55
▸ MMP1 P03956 3/20 0.53
▸ MMP2 P08253 2/20 0.53
▸ MMP9 P14780 2/20 0.53
▸ MMP8 P22894 2/20 0.53
▸ CCKBR P32239 6/20 0.52
▸ ACE P12821 2/20 0.52
▸ OPRD1 P41143 2/20 0.52
▸ CCKAR P32238 2/20 0.52
▸ ECE1 P42892 1/20 0.51
▸ IL1RN P18510 1/20 0.51
▸ ERAP1 Q9NZ08 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ PTPN1 P18031 1/20 0.50
▸ MMP3 P08254 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
SCHEMBL29630749 0.97 ERAP2 (0.61) ERAP2ERBB2MMP1MMP2MMP9
SCHEMBL30799750 0.94 MMP9 (0.59) ERAP2MMP1MMP2MMP9MMP8
SCHEMBL30567418 0.90 ERAP2 (0.65) ERAP2MMP1MMP2MMP9MMP8
SCHEMBL29531509 0.90 ERAP2 (0.65) ERAP2MMP1MMP2MMP9MMP8
SCHEMBL8176476 0.90 ERBB2 (0.63) ERAP2ERBB2MMP2MMP9MMP8
SCHEMBL30799516 0.90 CCKBR (0.57) ERAP2ERBB2CCKBROPRD1CCKAR
SCHEMBL30799856 0.90 CCKBR (0.57) ERAP2ERBB2CCKBROPRD1CCKAR
SCHEMBL9799753 0.89 ERAP2 (0.67) ERAP2ACEECE1
SCHEMBL9799741 0.89 ERAP2 (0.67) ERAP2ACEECE1
SCHEMBL30772212 0.89 ERAP2 (0.64) ERAP2ACEOPRD1ECE1IL1RN

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-117720621-B Alpha-amylase inhibiting peptide and application thereof 北京晶泰科技有限公司 2024-05-31 — — CN disclosed
CN-117720621-A Alpha-amylase inhibiting peptide and application thereof 北京晶泰科技有限公司 2024-03-19 — — CN disclosed
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