SCHEMBL4853318

SCHEMBL4853318

CN(C)CCOc1cccc(C=CC(=O)c2ccccc2OCCN(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.62
BCHE P06276 6/20 0.58
ACHE P22303 5/20 0.58
MAOA P21397 1/20 0.51
CYSLTR2 Q9NS75 1/20 0.50
APP P05067 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL4848357 0.93 MAOB (0.60) MAOBBCHEACHEMAOAAPP
SCHEMBL25202533 0.88 BCHE (0.65) MAOBBCHEACHEMAOAKDM4E
SCHEMBL4846713 0.88 MAOB (0.58) MAOBBCHEACHEMAOAAPP
SCHEMBL4852919 0.87 BCHE (0.56) MAOBBCHEACHEMAOACYSLTR2
SCHEMBL4847371 0.87 MAOB (0.52) MAOBBCHEACHEMAOA
SCHEMBL4854115 0.85 MAPT (0.63) BCHEACHEAPP
SCHEMBL4851228 0.83 ABCG2 (0.60) MAOBBCHEACHEMAOAAPP
SCHEMBL4845309 0.83 ABCG2 (0.60) MAOBBCHEACHEMAOAAPP
SCHEMBL4846963 0.82 TUBB1 (0.56) BCHEACHEAPPALDH1A1
SCHEMBL4849629 0.81 KDM4E (0.56) MAOBBCHEACHEAPPKDM4E

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 3 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
US-20050227990-A1 Aminoalkoxy-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2005-10-13 US disclosed