SCHEMBL4855859

SCHEMBL4855859

COc1cccc(OC)c1-c1ccc(OCCN(C)C)c(C=O)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.51
HTR1A P08908 1/20 0.51
ALDH1A1 P00352 3/20 0.48
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
MCHR1 Q99705 1/20 0.44
ERN1 O75460 7/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1B P28222 1/20 0.43
KDR P35968 2/20 0.41

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) HTR7ALDH1A1ADRB2ADRB1MCHR1
SCHEMBL4854690 0.85 ADRB2 (0.45) HTR7ALDH1A1ADRB2ADRB1ERN1
SCHEMBL4848018 0.85 ADRB2 (0.45) HTR7ALDH1A1ADRB2ADRB1ERN1
SCHEMBL4852503 0.81 ALDH1A1 (0.60) HTR7ALDH1A1ADRB2ADRB1MCHR1
SCHEMBL4853715 0.81 ALDH1A1 (0.60) HTR7ALDH1A1ADRB2ADRB1MCHR1
SCHEMBL4849200 0.81 KDM4E (0.47) HTR7ALDH1A1ADRB2ADRB1MCHR1
SCHEMBL4854088 0.81 KDM4E (0.45) HTR7ALDH1A1ADRB2ADRB1MAPT
SCHEMBL4845712 0.80 HTR7 (0.47) HTR7ALDH1A1ADRB2ADRB1ERN1
SCHEMBL4848158 0.79 ERN1 (0.54) HTR7ALDH1A1MCHR1ERN1KDM4E
SCHEMBL4849767 0.79 KDM4E (0.47) HTR7ALDH1A1ADRB2ADRB1MCHR1

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