SCHEMBL4854564

SCHEMBL4854564

Cc1ccc(-c2ccc(OCCN(C)C)c(C(=O)C=Cc3ccccc3CN(C)C)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 7/20 0.43
HRH1 P35367 1/20 0.41
ESR1 P03372 2/20 0.41
PTGER1 P34995 2/20 0.39
PTGER4 P35408 2/20 0.39
PTGER3 P43115 2/20 0.39
PTGER2 P43116 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
MCHR1 Q99705 1/20 0.38
GAA P10253 1/20 0.38
AR P10275 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
SCHEMBL4856320 1.00 SLC6A9 (0.43) SLC6A9HRH1ESR1PTGER1PTGER4
SCHEMBL4852981 0.93 SYK (0.42) SLC6A9HRH1ESR1PTGER1PTGER4
SCHEMBL4853060 0.93 SYK (0.42) SLC6A9HRH1ESR1PTGER1PTGER4
SCHEMBL4852871 0.93 SLC6A9 (0.45) SLC6A9HRH1ESR1PTGER1PTGER4
SCHEMBL4850155 0.93 SLC6A9 (0.45) SLC6A9HRH1ESR1PTGER1PTGER4
SCHEMBL4852990 0.92 PTGER1 (0.44) HRH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4856430 0.92 PTGER1 (0.44) HRH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4847873 0.90 HRH1 (0.39) SLC6A9HRH1ESR1PTGER1PTGER4
SCHEMBL4849737 0.90 HRH1 (0.39) SLC6A9HRH1ESR1PTGER1PTGER4
SCHEMBL4854570 0.89 HRH1 (0.41) SLC6A9HRH1ESR1PTGER1PTGER4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227990-A1 Aminoalkoxy-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2005-10-13 US claimed
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