SCHEMBL4851258

SCHEMBL4851258

Cc1ccccc1-c1ccc(OCCN(C)C)c(C=CC(=O)c2ccc(CN(C)C)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.47
ACHE P22303 5/20 0.47
SLC6A9 P48067 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MCHR1 Q99705 2/20 0.41
HRH1 P35367 1/20 0.40
ESR1 P03372 1/20 0.40
TNFRSF1A P19438 4/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL4854964 0.91 BCHE (0.43) BCHEACHESLC6A9SMN1; SMN2KDM4E
SCHEMBL4853297 0.89 BCHE (0.52) BCHEACHESMN1; SMN2KDM4ETNFRSF1A
SCHEMBL4848150 0.88 BCHE (0.42) BCHEACHESLC6A9SMN1; SMN2KDM4E
SCHEMBL4852794 0.88 MCHR1 (0.45) BCHEACHESLC6A9ALDH1A1MCHR1
SCHEMBL4847450 0.85 SLC6A9 (0.43) BCHEACHESLC6A9SMN1; SMN2KDM4E
SCHEMBL4851256 0.84 SLC6A9 (0.46) BCHEACHESLC6A9SMN1; SMN2KDM4E
SCHEMBL4856617 0.84 SLC6A9 (0.46) BCHEACHESLC6A9SMN1; SMN2KDM4E
SCHEMBL4852241 0.81 SLC6A9 (0.45) BCHEACHESLC6A9SMN1; SMN2KDM4E
SCHEMBL4854695 0.81 SLC6A9 (0.43) BCHEACHESLC6A9SMN1; SMN2KDM4E
SCHEMBL4849336 0.81 TNFRSF1A (0.44) BCHEACHESLC6A9SMN1; SMN2ESR1

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 3 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