SCHEMBL4854518

SCHEMBL4854518

CN(C)CCOc1ccc(-c2ccccc2OC(F)(F)F)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
FFAR4 Q5NUL3 1/20 0.43
SLC6A9 P48067 2/20 0.40
SCN9A Q15858 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPA1 O75762 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 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
SCHEMBL4856225 0.86 HTR7 (0.62) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL4854499 0.85 HTR7 (0.45) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL4845580 0.82 SLC6A9 (0.49) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL4853912 0.81 HTR7 (0.54) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL4854610 0.81 ALDH1A1 (0.49) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL4856307 0.81 HTR7 (0.48) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL4847853 0.81 SLC6A9 (0.50) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL4854762 0.79 ALDH1A1 (0.42) HTR7ALDH1A1KDM4ESMN1; SMN2FFAR4
SCHEMBL4846931 0.79 HTR7 (0.46) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL4853715 0.79 ALDH1A1 (0.60) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2

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