SCHEMBL4854461

SCHEMBL4854461

CCN(CC)CCOc1ccc(-c2ccccc2C)cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A9 P48067 2/20 0.45
MAOB P27338 1/20 0.43
MCHR1 Q99705 7/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
BIRC5 O15392 1/20 0.41
LMNA P02545 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
SCHEMBL4849739 0.93 ALDH1A1 (0.46) SLC6A9KDM4EALDH1A1MEN1MAPT
SCHEMBL4845580 0.88 SLC6A9 (0.49) DRD2DRD1SLC6A9MCHR1KDM4E
SCHEMBL4852186 0.84 SLC6A9 (0.46) SLC6A9KDM4EALDH1A1MEN1MAPT
SCHEMBL4851155 0.83 SLC6A9 (0.46) SLC6A9MCHR1KDM4EALDH1A1MEN1
SCHEMBL4855017 0.83 KDM4E (0.49) SLC6A9KDM4EALDH1A1MEN1MAPT
SCHEMBL4852357 0.79 SLC6A9 (0.42) SLC6A9MAOBMCHR1KDM4EALDH1A1
SCHEMBL4853716 0.79 HTR7 (0.48) DRD2DRD1SLC6A9KDM4EALDH1A1
SCHEMBL4846256 0.78 SLC6A9 (0.41) SLC6A9MAOBMCHR1KDM4EALDH1A1
SCHEMBL4854976 0.78 CYP1A2 (0.47) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL7936530 0.77 ERN1 (0.51) KDM4EALDH1A1MEN1MAPTKMT2A

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