SCHEMBL4847873

SCHEMBL4847873

Cc1cc(C)c(-c2ccc(OCCN(C)C)c(C(=O)C=Cc3ccccc3CN(C)C)c2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.39
PTGER1 P34995 2/20 0.37
PTGER4 P35408 2/20 0.37
PTGER3 P43115 2/20 0.37
PTGER2 P43116 2/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ABCB1 P08183 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AR P10275 1/20 0.36
SLC6A9 P48067 1/20 0.36
SYK P43405 1/20 0.36
ESR1 P03372 1/20 0.35
CRHR1 P34998 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL4849737 1.00 HRH1 (0.39) HRH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4852981 0.91 SYK (0.42) HRH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4853060 0.91 SYK (0.42) HRH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4847882 0.90 HRH1 (0.39) HRH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4856320 0.90 SLC6A9 (0.43) HRH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4854564 0.90 SLC6A9 (0.43) HRH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4852999 0.89 PTGER1 (0.41) HRH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4854201 0.89 PTGER1 (0.41) HRH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4852871 0.88 SLC6A9 (0.45) HRH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4847435 0.88 SLC6A9 (0.46) HRH1ALDH1A1SMN1; SMN2BCHEACHE

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 7 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
EP-1515940-A2 AMINOALKOXY-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-03-23 EP claimed
WO-2003097574-A2 AMINOALKOXY-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO 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