SCHEMBL4853792

SCHEMBL4853792

Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(C(=O)C=Cc3ccc(O)c(CN4CCN(C)CC4)c3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
MAOB P27338 2/20 0.39
HIF1AN Q9NWT6 4/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
SYK P43405 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4848049 1.00 SMN1; SMN2 (0.42) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4849440 0.87 SYK (0.41) MAOBSYK
SCHEMBL4847107 0.87 SYK (0.41) MAOBSYK
SCHEMBL4848059 0.85 MAOB (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6142062 0.85 HDAC3 (0.41) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4847316 0.82 MCL1 (0.48) MAOBLMNASYK
SCHEMBL4851370 0.82 MCL1 (0.48) MAOBLMNASYK
SCHEMBL4855932 0.82 ABCB1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4849673 0.82 ABCB1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4852212 0.80 BCHE (0.44) HDAC3HDAC6MAOBLMNASYK

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