SCHEMBL4846112

SCHEMBL4846112

CN(C)CCOc1ccc(-c2c(F)cccc2F)cc1C(=O)C=Cc1ccccc1CN(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
HRH1 P35367 1/20 0.39
SLC6A9 P48067 3/20 0.38
PADI4 Q9UM07 1/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
KDR P35968 2/20 0.36
AR P10275 1/20 0.36
NTSR1 P30989 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTPN1 P18031 1/20 0.35
TNFRSF1A P19438 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL4847346 1.00 KDM4E (0.39) KDM4EHRH1SLC6A9PADI4BCHE
SCHEMBL4846119 0.90 KDM4E (0.40) KDM4EHRH1SLC6A9PADI4BCHE
SCHEMBL4852999 0.89 PTGER1 (0.41) KDM4EHRH1SLC6A9BCHEACHE
SCHEMBL4854201 0.89 PTGER1 (0.41) KDM4EHRH1SLC6A9BCHEACHE
SCHEMBL4846148 0.89 ALDH1A1 (0.42) KDM4EHRH1BCHEACHEKDR
SCHEMBL4852887 0.89 ALDH1A1 (0.42) KDM4EHRH1BCHEACHEKDR
SCHEMBL4849737 0.87 HRH1 (0.39) KDM4EHRH1SLC6A9BCHEACHE
SCHEMBL4847873 0.87 HRH1 (0.39) KDM4EHRH1SLC6A9BCHEACHE
SCHEMBL4852871 0.86 SLC6A9 (0.45) KDM4EHRH1SLC6A9BCHEACHE
SCHEMBL4850155 0.86 SLC6A9 (0.45) KDM4EHRH1SLC6A9BCHEACHE

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