SCHEMBL6826544

SCHEMBL6826544

COc1ccc(C(O)CCN(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.60
UTS2R Q9UKP6 10/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.46

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
Hydrochloric Acid SCHEMBL14775340 0.98 AOC3 (0.58) AOC3UTS2RGAAALDH1A1MAPT
SCHEMBL11382002 0.91 AOC3 (0.51) AOC3UTS2RGAAALDH1A1
SCHEMBL19407138 0.83 AOC3 (0.54) AOC3UTS2RGAAALDH1A1MAPT
SCHEMBL6479388 0.81 AOC3 (0.74) AOC3ALDH1A1MAPT
SCHEMBL11434704 0.81 LTA4H (0.54) UTS2RALDH1A1
SCHEMBL19742702 0.80 AOC3 (0.64) AOC3UTS2R
SCHEMBL4450372 0.79 GAA (0.58) AOC3GAAALDH1A1MAPT
SCHEMBL9245675 0.79 GAA (0.58) AOC3GAAALDH1A1MAPT
SCHEMBL5488204 0.79 AOC3 (0.58) AOC3GAAALDH1A1MAPT
SCHEMBL5463519 0.79 UTS2R (0.46) UTS2R

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 5 patents. 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
EP-0399504-B1 Aryloxyphenylpropylamines their preparation and use NOVO NORDISK AS (DK) 1995-05-03 EP disclosed
US-5310756-A Aryloxyphenylpropylamines and their calcium overload blocking compositions and methods of use NOVO NORDISK A/S (DK) 1994-05-10 US disclosed
US-5145870-A Treating calcium overload in brain cells, anoxia, migraine, ischemia, epilepsy, neurodegenerative diseases NOVO NORDISK A/S (DK) 1992-09-08 US disclosed
EP-0399504-A2 Aryloxyphenylpropylamines their preparation and use NOVO NORDISK A/S (DK) 1990-11-28 EP disclosed