SCHEMBL4845305

SCHEMBL4845305

CCN(CC)CCCCOc1ccc(-c2ccccc2C)cc1C(=O)C=Cc1ccccc1CN(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.42
MAOA P21397 10/20 0.42
APP P05067 6/20 0.42
BCHE P06276 8/20 0.41
SLC6A9 P48067 1/20 0.41
ACHE P22303 7/20 0.40
PTPN11 Q06124 1/20 0.39

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
SCHEMBL4852558 1.00 MAOB (0.42) MAOBMAOAAPPBCHESLC6A9
SCHEMBL4850218 0.95 SLC6A9 (0.44) MAOBMAOAAPPBCHESLC6A9
SCHEMBL4849684 0.95 SLC6A9 (0.44) MAOBMAOAAPPBCHESLC6A9
SCHEMBL4856457 0.93 SLC6A9 (0.43) BCHESLC6A9ACHEPTPN11
SCHEMBL4854469 0.93 SLC6A9 (0.43) BCHESLC6A9ACHEPTPN11
SCHEMBL4845311 0.91 MAOB (0.42) MAOBMAOAAPPBCHEACHE
SCHEMBL4853568 0.90 SLC6A9 (0.46) BCHESLC6A9ACHEPTPN11
SCHEMBL4847435 0.90 SLC6A9 (0.46) BCHESLC6A9ACHEPTPN11
SCHEMBL4853354 0.89 SLC6A9 (0.40) MAOBMAOAAPPBCHESLC6A9
SCHEMBL4852918 0.89 SLC6A9 (0.40) MAOBMAOAAPPBCHESLC6A9

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-20050227990-A1 Aminoalkoxy-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2005-10-13 US claimed
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
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