SCHEMBL4854499

SCHEMBL4854499

CN(C)CCOc1ccc(-c2ccccc2C(F)(F)F)cc1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.45
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
TSHR P16473 3/20 0.44
MAPK1 P28482 3/20 0.44
CYP2C19 P33261 3/20 0.44
CLK4 Q9HAZ1 3/20 0.44
USP2 O75604 2/20 0.44
UTS2R Q9UKP6 1/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 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
SCHEMBL4854518 0.85 HTR7 (0.50) HTR7ADRB2ADRB1ALDH1A1KDM4E
SCHEMBL4845580 0.83 SLC6A9 (0.49) HTR7ADRB2ADRB1ALDH1A1KDM4E
SCHEMBL4847853 0.82 SLC6A9 (0.50) HTR7ADRB2ADRB1ALDH1A1KDM4E
SCHEMBL4856307 0.82 HTR7 (0.48) HTR7ADRB2ADRB1ALDH1A1KDM4E
SCHEMBL4853912 0.82 HTR7 (0.54) HTR7ADRB2ADRB1ALDH1A1CYP1A2
SCHEMBL4854610 0.82 ALDH1A1 (0.49) HTR7ADRB2ADRB1ALDH1A1KDM4E
SCHEMBL4856225 0.82 HTR7 (0.62) HTR7ADRB2ADRB1ALDH1A1CYP1A2
SCHEMBL6101095 0.81 ERN1 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4846931 0.80 HTR7 (0.46) HTR7ADRB2ADRB1ALDH1A1KDM4E
SCHEMBL4853715 0.80 ALDH1A1 (0.60) HTR7ADRB2ADRB1ALDH1A1KDM4E

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