SCHEMBL381469

SCHEMBL381469

CC(C)(C)N(C(=O)O)C(CCO)c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
OPRM1 P35372 1/20 0.37
CNR2 P34972 1/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MC4R P32245 3/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KAT2B Q92831 1/20 0.33
RIPK1 Q13546 1/20 0.33
CYP3A4 P08684 1/20 0.33
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 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
SCHEMBL380984 0.84 CNR2 (0.41) GAACNR2KDM4EALDH1A1TDP1
SCHEMBL19244856 0.82 POLB (0.43) MEN1KMT2A
SCHEMBL4345757 0.82 TRPA1 (0.41) GAACNR2KDM4EALDH1A1MEN1
SCHEMBL16504457 0.82 CFD (0.41) GAAOPRM1
SCHEMBL16504458 0.82 CFD (0.41) GAAOPRM1
SCHEMBL28473297 0.79 NPSR1 (0.43) GAAOPRM1CNR2CES2CES1
SCHEMBL381228 0.78 MEN1 (0.39) OPRM1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL3338164 0.78 TDP1 (0.38) KDM4EALDH1A1TDP1RIPK1
SCHEMBL6822106 0.75 CES2 (0.37) GAACNR2CES2CES1KDM4E
SCHEMBL6823139 0.74 CES2 (0.40) GAACNR2CES2CES1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408751-B1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER IP GMBH (DE) 2017-08-23 EP disclosed
EP-2408751-A1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof Bayer Pharma Aktiengesellschaft (DE) 2012-01-25 EP disclosed
WO-2010105770-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 WO disclosed