SCHEMBL4853595

SCHEMBL4853595

CN(C)CCOc1ccc(-c2ccccc2O)cc1C(=O)C=Cc1ccccc1CN(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH1 P35367 1/20 0.39
MAOB P27338 2/20 0.38
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
PTPN1 P18031 1/20 0.37
PTPN11 Q06124 1/20 0.37
SLC6A9 P48067 3/20 0.37
HTR7 P34969 1/20 0.37
NR1H4 Q96RI1 2/20 0.36
CHRNA7 P36544 1/20 0.36

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
SCHEMBL4854710 1.00 AR (0.41) ARKDM4EALDH1A1SMN1; SMN2HRH1
SCHEMBL4852630 0.92 ALDH1A1 (0.41) ARKDM4EALDH1A1SMN1; SMN2HRH1
SCHEMBL4851088 0.92 ALDH1A1 (0.41) ARKDM4EALDH1A1SMN1; SMN2HRH1
SCHEMBL4847435 0.91 SLC6A9 (0.46) ARKDM4EALDH1A1SMN1; SMN2HRH1
SCHEMBL4853568 0.91 SLC6A9 (0.46) ARKDM4EALDH1A1SMN1; SMN2HRH1
SCHEMBL4848069 0.91 AR (0.41) ARKDM4EALDH1A1SMN1; SMN2HRH1
SCHEMBL4857272 0.91 AR (0.41) ARKDM4EALDH1A1SMN1; SMN2HRH1
SCHEMBL4850209 0.90 HTR7 (0.46) ARKDM4EALDH1A1SMN1; SMN2HRH1
SCHEMBL4852269 0.90 SLC6A9 (0.47) KDM4EALDH1A1SMN1; SMN2HRH1BCHE
SCHEMBL4852586 0.90 HTR7 (0.46) ARKDM4EALDH1A1SMN1; SMN2HRH1

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 4 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
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
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