SCHEMBL4854696

SCHEMBL4854696

Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(C(=O)C=Cc3cccc(CN(C)C)c3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.41
ACHE P22303 3/20 0.41
SYK P43405 2/20 0.41
SLC6A9 P48067 3/20 0.41
HDAC4 P56524 1/20 0.38
MEF2D Q14814 1/20 0.38
CYSLTR2 Q9NS75 2/20 0.38
ESR1 P03372 1/20 0.38
MAOB P27338 1/20 0.38
HRH1 P35367 1/20 0.37
TNFRSF1A P19438 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37

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
SCHEMBL4846158 1.00 BCHE (0.41) BCHEACHESYKSLC6A9HDAC4
SCHEMBL4853880 0.91 BCHE (0.47) BCHEACHESLC6A9ESR1HRH1
SCHEMBL4857311 0.91 BCHE (0.47) BCHEACHESLC6A9ESR1HRH1
SCHEMBL4853507 0.90 MAOA (0.44) BCHEACHESYKSLC6A9CYSLTR2
SCHEMBL4857314 0.90 MAOA (0.44) BCHEACHESYKSLC6A9CYSLTR2
SCHEMBL4853732 0.88 BCHE (0.54) BCHEACHESYKSLC6A9ESR1
SCHEMBL4854231 0.88 BCHE (0.54) BCHEACHESYKSLC6A9ESR1
SCHEMBL4857214 0.88 SYK (0.44) BCHEACHESYKSLC6A9CYSLTR2
SCHEMBL4856632 0.88 SYK (0.44) BCHEACHESYKSLC6A9CYSLTR2
SCHEMBL4853337 0.88 SYK (0.44) BCHEACHESYKSLC6A9CYSLTR2

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