SCHEMBL4852900

SCHEMBL4852900

Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(C(=O)C=Cc3ccccc3F)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.44
MAOB P27338 2/20 0.41
NTSR1 P30989 1/20 0.41
SLC6A9 P48067 6/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TNFRSF1A P19438 1/20 0.38
KDR P35968 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP1B1 Q16678 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
SCHEMBL4849970 1.00 SYK (0.44) SYKMAOBNTSR1SLC6A9KDM4E
SCHEMBL4849808 0.92 SYK (0.45) SYKMAOBSLC6A9KDM4ELMNA
SCHEMBL4852245 0.92 SYK (0.45) SYKMAOBSLC6A9KDM4ELMNA
SCHEMBL4849980 0.89 SLC6A9 (0.42) SYKMAOBSLC6A9KDM4ESMN1; SMN2
SCHEMBL4853093 0.89 KDM4E (0.47) SYKSLC6A9KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4847743 0.89 CHRNA7 (0.43) SYKMAOBSLC6A9BCHEACHE
SCHEMBL4849704 0.89 KDM4E (0.47) SYKSLC6A9KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4846870 0.89 CHRNA7 (0.43) SYKMAOBSLC6A9BCHEACHE
SCHEMBL4854062 0.89 SYK (0.43) SYKSLC6A9KDM4EGAATNFRSF1A
SCHEMBL4854543 0.89 SYK (0.43) SYKSLC6A9KDM4EGAATNFRSF1A

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
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