SCHEMBL4849768

SCHEMBL4849768

COc1ccccc1-c1ccc(OCCN(C)C)c(C=CC(=O)c2ccc(O)cc2N2CCN(C)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PTPN1 P18031 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SLC6A9 P48067 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 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
SCHEMBL4849755 0.92 KDM4E (0.41) NR1H4MAOAMAOBPTPN1KDM4E
SCHEMBL4854750 0.92 KDM4E (0.41) NR1H4MAOAMAOBPTPN1KDM4E
SCHEMBL4854246 0.86 SYK (0.35) NR1H4MAOAMAOBPTPN1SLC6A9
SCHEMBL4854515 0.83 HDAC3 (0.47) MAOAMAOBKDM4EALDH1A1SMN1; SMN2
SCHEMBL3691194 0.81 PTPN1 (0.41) NR1H4MAOAMAOBPTPN1KDM4E
SCHEMBL3684550 0.81 PTPN1 (0.41) NR1H4MAOAMAOBPTPN1KDM4E
SCHEMBL3686258 0.81 PTPN1 (0.43) NR1H4MAOAMAOBPTPN1KDM4E
SCHEMBL3685244 0.81 PTPN1 (0.43) NR1H4MAOAMAOBPTPN1KDM4E
SCHEMBL3686603 0.81 NR1H4 (0.47) NR1H4MAOAMAOBPTPN1KDM4E
SCHEMBL4845636 0.80 TNFRSF1A (0.49) KDM4EALDH1A1SMN1; SMN2SLC6A9CYP1A2

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