SCHEMBL4847475

SCHEMBL4847475

COCc1ccccc1-c1ccc(OCCN(C)C)c(C(=O)C=Cc2ccccc2CN(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH1 P35367 1/20 0.38
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A9 P48067 5/20 0.36
MCHR1 Q99705 1/20 0.36
PTPN11 Q06124 1/20 0.36
AR P10275 1/20 0.36
HTR7 P34969 2/20 0.35
NR1H4 Q96RI1 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
SCHEMBL4849707 1.00 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2HRH1BCHE
SCHEMBL4851088 0.92 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2HRH1BCHE
SCHEMBL4852630 0.92 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2HRH1BCHE
SCHEMBL4857332 0.91 KDM4E (0.37) KDM4EALDH1A1SMN1; SMN2HRH1BCHE
SCHEMBL4850209 0.90 HTR7 (0.46) KDM4EALDH1A1SMN1; SMN2HRH1BCHE
SCHEMBL4852586 0.90 HTR7 (0.46) KDM4EALDH1A1SMN1; SMN2HRH1BCHE
SCHEMBL4847477 0.90 ALDH1A1 (0.40) KDM4EALDH1A1SMN1; SMN2HRH1BCHE
SCHEMBL4847435 0.89 SLC6A9 (0.46) KDM4EALDH1A1SMN1; SMN2HRH1BCHE
SCHEMBL4853595 0.89 AR (0.41) KDM4EALDH1A1SMN1; SMN2HRH1BCHE
SCHEMBL4854710 0.89 AR (0.41) KDM4EALDH1A1SMN1; SMN2HRH1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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