SCHEMBL4852186

SCHEMBL4852186

Cc1ccccc1-c1ccc(OCCCN(C)C)c(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.46
HRH1 P35367 2/20 0.45
HTR7 P34969 2/20 0.45
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
LSS P48449 1/20 0.43
FLT3 P36888 5/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41

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
SCHEMBL4855017 0.96 KDM4E (0.49) SLC6A9HRH1HTR7KDM4EMEN1
SCHEMBL4845580 0.94 SLC6A9 (0.49) SLC6A9HRH1HTR7KDM4EMEN1
SCHEMBL4853716 0.85 HTR7 (0.48) SLC6A9HRH1HTR7KDM4ECYP1A2
SCHEMBL4852357 0.85 SLC6A9 (0.42) SLC6A9HTR7KDM4ECYP1A2CYP2D6
SCHEMBL4849739 0.84 ALDH1A1 (0.46) SLC6A9KDM4EMEN1ALDH1A1MAPT
SCHEMBL4851155 0.84 SLC6A9 (0.46) SLC6A9HTR7KDM4ECYP1A2CYP2D6
SCHEMBL4854461 0.84 DRD2 (0.46) SLC6A9KDM4EMEN1ALDH1A1MAPT
SCHEMBL4846256 0.84 SLC6A9 (0.41) SLC6A9HTR7KDM4ECYP1A2CYP2D6
SCHEMBL4854976 0.81 CYP1A2 (0.47) HRH1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL3693311 0.81 HTR7 (0.46) HTR7CYP1A2CYP2D6CYP2C19ALDH1A1

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