SCHEMBL4847853

SCHEMBL4847853

CN(C)CCOc1ccc(-c2ccccc2Cl)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.50
ERN1 O75460 1/20 0.49
HTR7 P34969 3/20 0.48
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40

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
SCHEMBL4845580 0.86 SLC6A9 (0.49) SLC6A9HTR7ADRB2ADRB1KDM4E
SCHEMBL4854690 0.86 ADRB2 (0.45) SLC6A9ERN1HTR7ADRB2ADRB1
SCHEMBL4856307 0.85 HTR7 (0.48) SLC6A9HTR7ADRB2ADRB1KDM4E
SCHEMBL4853912 0.85 HTR7 (0.54) SLC6A9HTR7ADRB2ADRB1KDM4E
SCHEMBL4854610 0.85 ALDH1A1 (0.49) SLC6A9ERN1HTR7ADRB2ADRB1
SCHEMBL4856225 0.85 HTR7 (0.62) SLC6A9ERN1HTR7ADRB2ADRB1
SCHEMBL4846931 0.83 HTR7 (0.46) SLC6A9HTR7ADRB2ADRB1KDM4E
SCHEMBL4852503 0.83 ALDH1A1 (0.60) SLC6A9HTR7ADRB2ADRB1KDM4E
SCHEMBL4853715 0.83 ALDH1A1 (0.60) SLC6A9HTR7ADRB2ADRB1KDM4E
SCHEMBL4854499 0.82 HTR7 (0.45) SLC6A9HTR7ADRB2ADRB1KDM4E

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