SCHEMBL29045686

SCHEMBL29045686

CC(C)CC(N)C(=O)N(C(=O)C(C)N)C(Cc1ccccc1C=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.41
RNPEP Q9H4A4 1/20 0.41
DNPEP Q9ULA0 1/20 0.41
LARS1 Q9P2J5 1/20 0.34
LTA4H P09960 1/20 0.34
SLC7A5 Q01650 1/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
ACE P12821 6/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL4398840 0.89 ANPEP (0.38) ANPEPRNPEPDNPEPLARS1LTA4H
SCHEMBL39530 0.88 ANPEP (0.37) ANPEPRNPEPDNPEPLARS1LTA4H
SCHEMBL9387444 0.85 ANPEP (0.39) ANPEPRNPEPDNPEPLARS1LTA4H
SCHEMBL7028027 0.77 ANPEP (0.43) ANPEPRNPEPDNPEPLARS1LTA4H
SCHEMBL7030791 0.74 ANPEP (0.40) ANPEPRNPEPDNPEPLARS1LTA4H
SCHEMBL8997341 0.73 ANPEP (0.40) ANPEPRNPEPDNPEPLARS1LTA4H
SCHEMBL27468737 0.72 ANPEP (0.53) ANPEPRNPEPDNPEPLTA4HSLC7A5
SCHEMBL10646229 0.72 SLC1A3 (0.51) ANPEPRNPEPDNPEPLTA4HSLC7A5
SCHEMBL29733381 0.72 SLC7A5 (0.55) SLC7A5GRIK1GRIK2NOS3NOS1
SCHEMBL28786054 0.72 ANPEP (0.55) ANPEPRNPEPDNPEPLTA4HSLC7A5

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-109387636-B Method for testing basophil activation 欧蒙医学实验诊断股份公司 2023-07-04 CN disclosed