SCHEMBL6556912

SCHEMBL6556912

CN(C)c1ccccc1C(c1ccccc1)c1cccc(Cl)c1N(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
IDO1 P14902 3/20 0.35
TDO2 P48775 3/20 0.35
IDO2 Q6ZQW0 2/20 0.35
NISCH Q9Y2I1 1/20 0.34
ACP3 P15309 1/20 0.33
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
NSD2 O96028 1/20 0.32
EGFR P00533 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 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
SCHEMBL6247039 0.83 HTR2A (0.40) AOC3SLC6A2SLC6A4MAPTALDH1A1
SCHEMBL29687122 0.80 MAPT (0.39) AOC3SLC6A2SLC6A4MAPTALDH1A1
SCHEMBL6556723 0.77 IDO1 (0.38) SLC6A2SLC6A4IDO1TDO2ALDH1A1
SCHEMBL6557881 0.76 CYP1A2 (0.37) MAPTALDH1A1LMNAMAPK1TDP1
SCHEMBL14509976 0.76 OPRM1 (0.43) AOC3SLC6A2SLC6A4ACP3MAPT
SCHEMBL10753818 0.74 MAPT (0.37) AOC3SLC6A2SLC6A4MAPTALDH1A1
SCHEMBL3787606 0.72 MAPT (0.44) AOC3MAPTALDH1A1LMNANSD2
SCHEMBL657406 0.72 MAPT (0.43) AOC3NISCHMAPTALDH1A1LMNA
SCHEMBL30125097 0.72 MAPT (0.43) AOC3NISCHMAPTALDH1A1LMNA
SCHEMBL30200550 0.70 HTR2A (0.35) AOC3SLC6A2SLC6A4MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100483-B1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LAB (US) 2004-09-29 EP claimed
JP-2002521430-A 2002-07-16 JP claimed
EP-1100483-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS Abbott Laboratories (US) 2001-05-23 EP claimed
WO-2000006137-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2000-02-10 WO claimed
EP-1100483-B1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LAB (US) 2004-09-29 EP disclosed
EP-1100483-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS Abbott Laboratories (US) 2001-05-23 EP disclosed
WO-2000006137-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2000-02-10 WO disclosed