SCHEMBL4854299

SCHEMBL4854299

CN(C)CCOc1ccc(-c2ccccc2COC(C)(C)C)cc1C=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.42
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
HRH1 P35367 1/20 0.40
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A9 P48067 2/20 0.38
LMNA P02545 1/20 0.37
ESR1 P03372 1/20 0.36
GAA P10253 1/20 0.35
MAPK1 P28482 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
SCHEMBL4856539 0.88 HTR7 (0.45) HTR7ADRB2ADRB1KDM4EALDH1A1
SCHEMBL4856307 0.86 HTR7 (0.48) HTR7ADRB2ADRB1KDM4EALDH1A1
SCHEMBL4854610 0.82 ALDH1A1 (0.49) HTR7ADRB2ADRB1KDM4EALDH1A1
SCHEMBL4857339 0.81 ALDH1A1 (0.38) HTR7KDM4EALDH1A1SMN1; SMN2HRH1
SCHEMBL4845580 0.80 SLC6A9 (0.49) HTR7ADRB2ADRB1KDM4EALDH1A1
SCHEMBL4847853 0.79 SLC6A9 (0.50) HTR7ADRB2ADRB1KDM4EALDH1A1
SCHEMBL4853912 0.79 HTR7 (0.54) HTR7ADRB2ADRB1KDM4EALDH1A1
SCHEMBL4856225 0.79 HTR7 (0.62) HTR7ADRB2ADRB1KDM4EALDH1A1
SCHEMBL4857332 0.79 KDM4E (0.37) HTR7KDM4EALDH1A1SMN1; SMN2HRH1
SCHEMBL4854499 0.79 HTR7 (0.45) HTR7ADRB2ADRB1KDM4EALDH1A1

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