SCHEMBL4855017

SCHEMBL4855017

Cc1ccccc1-c1ccc(OCCCCN(C)C)c(C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
SLC6A9 P48067 2/20 0.45
HTR7 P34969 2/20 0.44
HTR1B P28222 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH1 P35367 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL4852186 0.96 SLC6A9 (0.46) KDM4ESLC6A9HTR7ALDH1A1MEN1
SCHEMBL4845580 0.93 SLC6A9 (0.49) KDM4ESLC6A9HTR7ALDH1A1MEN1
SCHEMBL4852357 0.89 SLC6A9 (0.42) KDM4ESLC6A9HTR7ALDH1A1MEN1
SCHEMBL4849739 0.88 ALDH1A1 (0.46) KDM4ESLC6A9ALDH1A1MEN1MAPT
SCHEMBL4846256 0.88 SLC6A9 (0.41) KDM4ESLC6A9HTR7ALDH1A1MEN1
SCHEMBL4853716 0.84 HTR7 (0.48) KDM4ESLC6A9HTR7ALDH1A1HRH1
SCHEMBL4851155 0.83 SLC6A9 (0.46) KDM4ESLC6A9HTR7ALDH1A1MEN1
SCHEMBL4854976 0.83 CYP1A2 (0.47) KDM4EHTR1BALDH1A1MEN1MAPT
SCHEMBL4854461 0.83 DRD2 (0.46) KDM4ESLC6A9ALDH1A1MEN1MAPT
SCHEMBL7936530 0.80 ERN1 (0.51) KDM4EALDH1A1MEN1MAPTKMT2A

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-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