SCHEMBL25967196

SCHEMBL25967196

CN[C@@H](C)NC(=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 2/20 0.33
POLB P06746 2/20 0.33
CNR2 P34972 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MAPT P10636 1/20 0.33
ANPEP P15144 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL20364044 0.87 NPSR1 (0.39) NPSR1L3MBTL1GAAPOLBCNR2
SCHEMBL13990706 0.79
SCHEMBL16643942 0.79 CYP2C9 (0.45) NPSR1L3MBTL1GAAPOLBCNR2
SCHEMBL16643945 0.79 CYP2C9 (0.45) NPSR1L3MBTL1GAAPOLBCNR2
SCHEMBL16643953 0.79 CYP2C9 (0.45) NPSR1L3MBTL1GAAPOLBCNR2
SCHEMBL6429491 0.78 CA2 (0.46) POLBALDH1A1
SCHEMBL152945 0.76 SIGMAR1 (0.40) NPSR1L3MBTL1GAAPOLBCNR2
SCHEMBL2321287 0.74 NPSR1 (0.38) NPSR1L3MBTL1GAAPOLBCNR2
SCHEMBL24852434 0.73 CYP2C9 (0.37) NPSR1L3MBTL1GAAPOLBCNR2
SCHEMBL21187752 0.73 NPSR1 (0.35) NPSR1L3MBTL1GAAPOLBCNR2

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
EP-4215530-A1 ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC Corporation (US) 2023-07-26 EP disclosed