SCHEMBL4853606

SCHEMBL4853606

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.47
BCHE P06276 7/20 0.42
ACHE P22303 6/20 0.42
SLC2A1 P11166 1/20 0.38
TNFRSF1A P19438 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MCHR1 Q99705 3/20 0.37
HTR2C P28335 1/20 0.37
MCHR2 Q969V1 1/20 0.37

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
SCHEMBL4847745 1.00 SYK (0.47) SYKBCHEACHESLC2A1TNFRSF1A
SCHEMBL4852884 0.90 SYK (0.45) SYKBCHEACHEMAOB
SCHEMBL4854769 0.90 SYK (0.45) SYKBCHEACHEMAOB
SCHEMBL4853797 0.90 BCHE (0.49) BCHEACHESLC2A1MAOAMAOB
SCHEMBL4856388 0.90 BCHE (0.49) BCHEACHESLC2A1MAOAMAOB
SCHEMBL6141442 0.89 MAOA (0.46) SYKBCHEACHEMAOAMAOB
SCHEMBL4856235 0.89 MAOA (0.46) SYKBCHEACHEMAOAMAOB
SCHEMBL4849963 0.88 SYK (0.44) SYKBCHEACHEMAOB
SCHEMBL4852212 0.88 BCHE (0.44) SYKBCHEACHEMAOAMAOB
SCHEMBL4852224 0.88 SYK (0.44) SYKBCHEACHEMAOB

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