SCHEMBL4846416

SCHEMBL4846416

Cc1ccccc1-c1ccc(OCCN(C)C)c(C=CC(=O)c2ccccc2CN2CCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.39
HDAC3 O15379 4/20 0.39
HDAC4 P56524 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC7 Q8WUI4 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC10 Q969S8 4/20 0.39
HDAC11 Q96DB2 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC9 Q9UKV0 4/20 0.39
HDAC5 Q9UQL6 4/20 0.39
HRH1 P35367 1/20 0.38
BACE1 P56817 7/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
PTPN1 P18031 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
SCHEMBL4846175 0.94 HDAC3 (0.47) SLC6A9HDAC3HDAC4HDAC1HDAC7
SCHEMBL4846414 0.91 SLC6A9 (0.42) SLC6A9HRH1BACE1SMN1; SMN2KDM4E
SCHEMBL4852855 0.91 SLC6A9 (0.42) SLC6A9HRH1BACE1SMN1; SMN2KDM4E
SCHEMBL4847450 0.87 SLC6A9 (0.43) SLC6A9HRH1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4852464 0.87 BACE1 (0.50) HRH1BACE1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4854149 0.85 BACE1 (0.52) BACE1KDM4EALDH1A1KEAP1NFE2L2
SCHEMBL4847720 0.85 BACE1 (0.51) BACE1KDM4EALDH1A1KEAP1NFE2L2
SCHEMBL4846166 0.85 SLC6A9 (0.44) SLC6A9HDAC3HDAC4HDAC1HDAC7
SCHEMBL4854515 0.85 HDAC3 (0.47) SLC6A9HDAC3HDAC4HDAC1HDAC7
SCHEMBL4854720 0.85 SLC6A9 (0.44) SLC6A9HDAC3HDAC4HDAC1HDAC7

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