SCHEMBL4852919

SCHEMBL4852919

CN(C)CCOc1cccc(C=CC(=O)c2ccccc2CN(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.56
ACHE P22303 5/20 0.56
MAOB P27338 10/20 0.52
MAOA P21397 2/20 0.49
APP P05067 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 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
SCHEMBL4846048 0.95 BCHE (0.56) BCHEACHEMAOBMAOAAPP
SCHEMBL4853318 0.87 MAOB (0.62) BCHEACHEMAOBMAOAAPP
SCHEMBL4847491 0.85 BCHE (0.52) BCHEACHEMAOBMAOAAPP
SCHEMBL4848357 0.85 MAOB (0.60) BCHEACHEMAOBMAOAAPP
SCHEMBL5915407 0.80 HDAC4 (0.48) BCHEMAOBMAOA
SCHEMBL5915811 0.80 HDAC4 (0.48) BCHEMAOBMAOA
SCHEMBL3685872 0.80 MAOB (0.42) BCHEACHEMAOBMAOA
SCHEMBL4853057 0.80 HRH1 (0.51) BCHEACHEMAOBKDM4EALDH1A1
SCHEMBL4856351 0.80 HRH1 (0.51) BCHEACHEMAOBKDM4EALDH1A1
SCHEMBL4852227 0.80 KDM4E (0.56) BCHEACHEMAOBAPPKDM4E

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
US-20050227990-A1 Aminoalkoxy-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2005-10-13 US claimed
EP-1515940-A2 AMINOALKOXY-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-03-23 EP claimed
WO-2003097574-A2 AMINOALKOXY-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO claimed
US-7423181-B2 in particular against bacterial and parasitic infections, fungi, and helminths; improved metabolic and physiochemical properties, bioavailability, solubility; 3-[4-(2-Dimethylamino-ethoxy)-2'-trifluoromethyl-biphenyl-3-yl]-1-(2-dimethylaminomethyl-phenyl)-propenone LICA PHARMACEUTICALS A/S (DK) 2008-09-09 US disclosed
US-20050227990-A1 Aminoalkoxy-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2005-10-13 US disclosed