SCHEMBL4853732

SCHEMBL4853732

Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(C(=O)C=Cc3ccccc3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.54
ACHE P22303 6/20 0.54
SYK P43405 1/20 0.47
SLC6A9 P48067 2/20 0.44
NFE2L2 Q16236 1/20 0.44
ESR1 P03372 1/20 0.43

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
SCHEMBL4854231 1.00 BCHE (0.54) BCHEACHESYKSLC6A9NFE2L2
SCHEMBL4857314 0.91 MAOA (0.44) BCHEACHESYKSLC6A9
SCHEMBL4853507 0.91 MAOA (0.44) BCHEACHESYKSLC6A9
SCHEMBL4852224 0.91 SYK (0.44) BCHEACHESYKSLC6A9
SCHEMBL4852212 0.91 BCHE (0.44) BCHEACHESYK
SCHEMBL4849963 0.91 SYK (0.44) BCHEACHESYKSLC6A9
SCHEMBL4853723 0.91 BCHE (0.44) BCHEACHESYK
SCHEMBL4849917 0.90 SYK (0.45) BCHEACHESYK
SCHEMBL6141442 0.90 MAOA (0.46) BCHEACHESYK
SCHEMBL4856235 0.90 MAOA (0.46) BCHEACHESYK

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
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
EP-1515940-A2 AMINOALKOXY-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-03-23 EP disclosed
WO-2003097574-A2 AMINOALKOXY-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed