SCHEMBL4853472

SCHEMBL4853472

Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(C(=O)C=Cc3ccccc3N)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.42
SLC6A9 P48067 6/20 0.40
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
AR P10275 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ESR1 P03372 1/20 0.37
ROCK2 O75116 1/20 0.36
HRH1 P35367 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4852420 1.00 SYK (0.42) SYKSLC6A9BCHEACHEAR
SCHEMBL4849808 0.92 SYK (0.45) SYKSLC6A9BCHEACHEAR
SCHEMBL4852245 0.92 SYK (0.45) SYKSLC6A9BCHEACHEAR
SCHEMBL4846870 0.89 CHRNA7 (0.43) SYKSLC6A9BCHEACHEAR
SCHEMBL4849704 0.89 KDM4E (0.47) SYKSLC6A9BCHEACHEAR
SCHEMBL4853093 0.89 KDM4E (0.47) SYKSLC6A9BCHEACHEAR
SCHEMBL4852423 0.89 SYK (0.43) SYKSLC6A9BCHEACHEAR
SCHEMBL14280886 0.89 SYK (0.43) SYKSLC6A9BCHEACHEAR
SCHEMBL4847743 0.89 CHRNA7 (0.43) SYKSLC6A9BCHEACHEAR
SCHEMBL4852546 0.89 SYK (0.44) SYKSLC6A9BCHEACHEAR

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