SCHEMBL4853380

SCHEMBL4853380

Cc1ccccc1-c1ccc(OCCCCCN(C)C(C)(C)C)c(C(=O)/C=C/c2ccccc2CN(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.40
PTPN11 Q06124 1/20 0.38
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
APP P05067 3/20 0.36
BCHE P06276 7/20 0.35
ACHE P22303 6/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.34
PTPN1 P18031 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL4854641 1.00 SLC6A9 (0.40) SLC6A9PTPN11MAOAMAOBAPP
SCHEMBL4852918 0.99 SLC6A9 (0.40) SLC6A9PTPN11MAOAMAOBAPP
SCHEMBL4853354 0.99 SLC6A9 (0.40) SLC6A9PTPN11MAOAMAOBAPP
SCHEMBL4852352 0.94 SLC6A9 (0.43) SLC6A9PTPN11KEAP1NFE2L2KDM4E
SCHEMBL4847208 0.94 SLC6A9 (0.43) SLC6A9PTPN11KEAP1NFE2L2KDM4E
SCHEMBL4854469 0.92 SLC6A9 (0.43) SLC6A9PTPN11BCHEACHEKDM4E
SCHEMBL4856457 0.92 SLC6A9 (0.43) SLC6A9PTPN11BCHEACHEKDM4E
SCHEMBL4853384 0.91 PTPN11 (0.37) SLC6A9PTPN11MAOAMAOBAPP
SCHEMBL4852923 0.90 SLC6A9 (0.37) SLC6A9PTPN11MAOAMAOBAPP
SCHEMBL4853574 0.89 SLC6A9 (0.43) SLC6A9PTPN11BCHEACHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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