SCHEMBL6829522

SCHEMBL6829522

CC(C)(N)CC(O)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.53
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.39
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
IGF1R P08069 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36

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
SCHEMBL6829386 0.82 NR3C2 (0.39) AOC3KDM4E
SCHEMBL3746491 0.80 RIPK1 (0.55) AOC3KDM4E
SCHEMBL8027464 0.80 RIPK1 (0.55) AOC3KDM4E
SCHEMBL6831554 0.78 AOC3 (0.57) AOC3IGF1R
SCHEMBL31489960 0.78 AOC3 (0.48) AOC3KDM4EHTTGABBR2GABBR1
SCHEMBL9296581 0.77 AOC3 (0.45) AOC3KDM4EHTTGABBR2GABBR1
SCHEMBL684740 0.75 AOC3 (0.40) AOC3HTTGABBR2GABBR1
SCHEMBL12167826 0.75 AOC3 (0.40) AOC3HTT
SCHEMBL22623869 0.73 RIPK1 (0.67) AOC3KDM4EMEN1KMT2A
SCHEMBL10458397 0.73 AOC3 (0.45) AOC3KDM4EHTTGABBR2GABBR1

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
WO-2004043921-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-ARYL-3-HYDROXYMETHYL-1-METHYLPIPERIDINES. NATCO PHARMA LIMITED (IN) 2004-05-27 WO disclosed