SCHEMBL4851044

SCHEMBL4851044

CCCc1cc(C=O)c(OCCN(C)C)cc1OC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.42
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
POLB P06746 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL7189695 0.84 PTPN1 (0.53) PTPN1POLB
SCHEMBL4848189 0.81 ADRB2 (0.37) PTPN1ADRB2ADRB1KDM4C
SCHEMBL7191594 0.80 PTPN1 (0.45) PTPN1POLB
SCHEMBL8157061 0.80 PTPN1 (0.45) PTPN1POLB
SCHEMBL8156984 0.77 PTPN1 (0.53) PTPN1
SCHEMBL7194484 0.77 PTPN1 (0.53) PTPN1
SCHEMBL8153542 0.73 PTPN1 (0.43) PTPN1
SCHEMBL7193361 0.73 PTPN1 (0.43) PTPN1
SCHEMBL28518072 0.67 POLB (0.44) PTPN1POLBKDM4C
SCHEMBL19352691 0.67 MEN1 (0.45) PTPN1KDM4C

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 4 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
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