SCHEMBL4855833

SCHEMBL4855833

CC(=O)c1ccc(OCCN(C)C)cc1F

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.58
MAOA P21397 1/20 0.56
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 3/20 0.52
HRH3 Q9Y5N1 1/20 0.48
LMNA P02545 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46

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
SCHEMBL21202180 0.86 KDM4E (0.50) MAOBKDM4EALDH1A1HRH3LMNA
SCHEMBL18758109 0.83 MAOB (0.62) MAOBMAOA
SCHEMBL5260336 0.82 MAOB (0.62) MAOBMAOA
SCHEMBL3849764 0.82 MAOB (0.61) MAOBMAOAROCK2ROCK1
SCHEMBL14356128 0.80 MAOB (0.66) MAOBMAOAKDM4ELMNA
SCHEMBL8992391 0.79 MAOB (0.58) MAOBMAOA
SCHEMBL9720060 0.79 MAOB (0.58) MAOBMAOA
SCHEMBL25902779 0.79 MAOB (0.58) MAOBMAOASMN1; SMN2
SCHEMBL2214019 0.79 MAOB (0.58) MAOBMAOA
SCHEMBL22831332 0.79 MAPT (0.55) KDM4EALDH1A1HRH3CHRNB2CHRNA4

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