SCHEMBL4854690

SCHEMBL4854690

CN(C)CCOc1ccc(-c2c(Cl)cccc2Cl)cc1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
KDR P35968 2/20 0.41
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC6A9 P48067 1/20 0.41
ERN1 O75460 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
FGFR4 P22455 1/20 0.40
HTR7 P34969 2/20 0.40
HTR1B P28222 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38

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
SCHEMBL4847853 0.86 SLC6A9 (0.50) ADRB2ADRB1KDM4EALDH1A1MAPT
SCHEMBL4848018 0.85 ADRB2 (0.45) ADRB2ADRB1KDRKDM4EALDH1A1
SCHEMBL4855859 0.85 HTR7 (0.51) ADRB2ADRB1KDRKDM4EALDH1A1
SCHEMBL4854088 0.83 KDM4E (0.45) ADRB2ADRB1KDM4EALDH1A1MAPT
SCHEMBL4852503 0.81 ALDH1A1 (0.60) ADRB2ADRB1KDM4EALDH1A1MAPT
SCHEMBL4853715 0.81 ALDH1A1 (0.60) ADRB2ADRB1KDM4EALDH1A1MAPT
SCHEMBL4849200 0.81 KDM4E (0.47) ADRB2ADRB1KDRKDM4EALDH1A1
SCHEMBL30304134 0.79 KDM4E (0.56) ADRB2ADRB1KDM4EALDH1A1MAPT
SCHEMBL29189171 0.79 KDM4E (0.56) ADRB2ADRB1KDM4EALDH1A1MAPT
SCHEMBL4849767 0.79 KDM4E (0.47) ADRB2ADRB1KDM4EALDH1A1MAPT

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