SCHEMBL4853375

SCHEMBL4853375

COc1c(C=CC(=O)c2ccc(OCCN(C)C)cc2N2CCN(C)CC2)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.37
MAOA P21397 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ALOX5 P09917 2/20 0.35
TNFRSF1A P19438 1/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
MGLL Q99685 1/20 0.34
ABHD6 Q9BV23 1/20 0.34
APP P05067 1/20 0.34
HDAC3 O15379 3/20 0.33
HDAC4 P56524 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC7 Q8WUI4 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC10 Q969S8 3/20 0.33
HDAC11 Q96DB2 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33

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
SCHEMBL4857362 0.91 KEAP1 (0.36) MAOBMAOAKEAP1NFE2L2ALOX5
SCHEMBL4853369 0.91 KEAP1 (0.36) MAOBMAOAKEAP1NFE2L2ALOX5
SCHEMBL3683957 0.83 CHRNA7 (0.40) MAOBMAOATNFRSF1AAPPHDAC3
SCHEMBL4848041 0.77 LMNA (0.44) TNFRSF1ABCHEACHEAPPFLT3
SCHEMBL4848034 0.73 MAPT (0.40) TNFRSF1A
SCHEMBL4852989 0.73 MAPT (0.40) TNFRSF1A
SCHEMBL4854868 0.73 MAOB (0.46) MAOBMGLLABHD6
SCHEMBL3683955 0.73 CHRNA7 (0.40) TNFRSF1AAPPHDAC3HDAC4HDAC1
SCHEMBL3691233 0.73 CHRNA7 (0.40) TNFRSF1AAPPHDAC3HDAC4HDAC1
SCHEMBL3685949 0.69 CAPN1 (0.47) MAOBMAOAAPP

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 7 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
EP-1515940-A2 AMINOALKOXY-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-03-23 EP claimed
WO-2003097574-A2 AMINOALKOXY-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO 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
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