SCHEMBL4857397

SCHEMBL4857397

Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(C(=O)C=Cc3ccc(Br)cc3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.45
MAPT P10636 5/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 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
SCHEMBL4849917 1.00 SYK (0.45) SYKMAPTALDH1A1LMNAMAOB
SCHEMBL4853723 0.91 BCHE (0.44) SYKLMNAMAOBMAOABCHE
SCHEMBL4852224 0.91 SYK (0.44) SYKMAOBBCHEACHEKDM4E
SCHEMBL4852212 0.91 BCHE (0.44) SYKLMNAMAOBMAOABCHE
SCHEMBL4849963 0.91 SYK (0.44) SYKMAOBBCHEACHEKDM4E
SCHEMBL4856235 0.90 MAOA (0.46) SYKMAOBMAOABCHEACHE
SCHEMBL6141442 0.90 MAOA (0.46) SYKMAOBMAOABCHEACHE
SCHEMBL4854231 0.90 BCHE (0.54) SYKBCHEACHE
SCHEMBL4853732 0.90 BCHE (0.54) SYKBCHEACHE
SCHEMBL4857214 0.89 SYK (0.44) SYKMAPTALDH1A1LMNAMAOB

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