SCHEMBL4855074

SCHEMBL4855074

CN(C)CCOc1cc(C(=O)C=Cc2ccccc2CN(C)C)cc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.52
ACHE P22303 8/20 0.52
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
ESR1 P03372 2/20 0.40
HRH1 P35367 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
RELA Q04206 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL4847485 1.00 BCHE (0.52) BCHEACHEKDM4EALDH1A1ESR1
SCHEMBL4852910 0.85 BCHE (0.53) BCHEACHEKDM4EALDH1A1ESR1
SCHEMBL4856462 0.85 BCHE (0.53) BCHEACHEKDM4EALDH1A1ESR1
SCHEMBL4846039 0.81 BCHE (0.54) BCHEACHEKDM4EALDH1A1ESR1
SCHEMBL4853686 0.81 BCHE (0.54) BCHEACHEKDM4EALDH1A1ESR1
SCHEMBL4847491 0.80 BCHE (0.52) BCHEACHEKDM4EALDH1A1SMN1; SMN2
SCHEMBL13625997 0.76 ESR1 (0.55) BCHEACHEKDM4EALDH1A1ESR1
SCHEMBL4853062 0.76 HRH1 (0.50) BCHEACHEKDM4EALDH1A1HRH1
SCHEMBL4856320 0.74 SLC6A9 (0.43) BCHEACHEKDM4EALDH1A1ESR1
SCHEMBL4854564 0.74 SLC6A9 (0.43) BCHEACHEKDM4EALDH1A1ESR1

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