SCHEMBL4848018

SCHEMBL4848018

CN(C)CCOc1ccc(-c2c(F)cccc2F)cc1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
KDR P35968 2/20 0.41
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A9 P48067 1/20 0.41
FLT3 P36888 1/20 0.40
ERN1 O75460 3/20 0.40
HTR7 P34969 2/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL4855859 0.85 HTR7 (0.51) ADRB2ADRB1ALDH1A1MAPTKDR
SCHEMBL4854690 0.85 ADRB2 (0.45) ADRB2ADRB1ALDH1A1MAPTKDR
SCHEMBL4853715 0.81 ALDH1A1 (0.60) ADRB2ADRB1ALDH1A1MAPTKDM4E
SCHEMBL4852503 0.81 ALDH1A1 (0.60) ADRB2ADRB1ALDH1A1MAPTKDM4E
SCHEMBL4854088 0.81 KDM4E (0.45) ADRB2ADRB1ALDH1A1MAPTKDM4E
SCHEMBL4849200 0.81 KDM4E (0.47) ADRB2ADRB1ALDH1A1MAPTKDR
SCHEMBL30304109 0.79 ALDH1A1 (0.49) ADRB2ADRB1ALDH1A1MAPTKDM4E
SCHEMBL29189194 0.79 ALDH1A1 (0.49) ADRB2ADRB1ALDH1A1MAPTKDM4E
SCHEMBL4849767 0.79 KDM4E (0.47) ADRB2ADRB1ALDH1A1MAPTKDM4E
SCHEMBL4849949 0.77 ADRB2 (0.45) ADRB2ADRB1ALDH1A1MAPTKDM4E

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