SCHEMBL28624192

SCHEMBL28624192

NCC(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN1C(=O)C=CC1=O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.52
SLC15A2 Q16348 1/20 0.47
AKT1 P31749 1/20 0.46
QRFPR Q96P65 2/20 0.44
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
MME P08473 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
NPFFR1 Q9GZQ6 1/20 0.41

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
SCHEMBL28624188 1.00 GNPAT (0.52) GNPATSLC15A2AKT1QRFPRFAAH
Trifluoroacetic Acid SCHEMBL31374723 0.95 GNPAT (0.48) GNPATSLC15A2AKT1QRFPRITGB3
Trifluoroacetic Acid SCHEMBL22207661 0.95 GNPAT (0.48) GNPATSLC15A2AKT1QRFPRITGB3
SCHEMBL31374733 0.87 AKT1 (0.45) GNPATSLC15A2AKT1QRFPRITGB3
SCHEMBL24312459 0.87 AKT1 (0.45) GNPATAKT1QRFPR
SCHEMBL28922741 0.87 AKT1 (0.56) GNPATAKT1
SCHEMBL28922739 0.87 AKT1 (0.56) GNPATAKT1
SCHEMBL28635372 0.87 PTGS1 (0.45) GNPATSLC15A2FAAHMGLLGSK3A
SCHEMBL23983021 0.87 PTGS1 (0.45) GNPATSLC15A2FAAHMGLLGSK3A
SCHEMBL1711937 0.84 SLC15A2 (0.62) GNPATSLC15A2QRFPRITGB3ITGA2B

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-113301920-A Complexes comprising ligands, spacers, peptide linkers and biomolecules 安斯泰来制药株式会社 2021-08-24 CN disclosed
CN-113271973-A Complex comprising a ligand and a CEACAM5 antibody Fab fragment 安斯泰来制药株式会社 2021-08-17 CN disclosed