SCHEMBL30721557

SCHEMBL30721557

C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 9/20 0.42
▸ REN P00797 4/20 0.42
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ CTSD P07339 2/20 0.39
▸ CTSE P14091 2/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ BDKRB2 P30411 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PEPD P12955 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ THPO P40225 1/20 0.38

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
SCHEMBL8427600 0.83 BDKRB2 (0.43) ACERENOPRM1OPRD1BDKRB2
SCHEMBL29355029 0.81 CAPN1 (0.46) OPRM1OPRD1CTSDCTSESTAT3
SCHEMBL29565172 0.81 GRB2 (0.43) ACERENOPRM1OPRD1CTSD
SCHEMBL29512229 0.81 BDKRB2 (0.44) OPRM1OPRD1BDKRB2
SCHEMBL27404602 0.79 CTSD (0.41) ACERENCTSDCTSESTAT3
SCHEMBL27317324 0.79 CTSD (0.41) ACERENCTSDCTSESTAT3
SCHEMBL8429429 0.79 CXCL8 (0.46) BDKRB2
SCHEMBL29801911 0.79 ACE (0.52) ACEF2
SCHEMBL29592022 0.78 ACE (0.47) ACERENSTAT3KDM4EF2
SCHEMBL27410828 0.78 CTSD (0.39) ACERENCTSDCTSESTAT3

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
CN-117402256-A Protein dimers consisting of GLP-1 and EGF (A) analogues 乐普(北京)医疗器械股份有限公司 2024-01-16 — — CN disclosed
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