SCHEMBL4854487

SCHEMBL4854487

COc1ccc(C=CC(=O)c2cc(-c3ccccc3)ccc2OCCN(C)C)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.46
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TNFRSF1A P19438 1/20 0.44
MCHR1 Q99705 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL4854827 1.00 SLC6A9 (0.46) SLC6A9MAPTSMN1; SMN2LMNAGAA
SCHEMBL4857394 1.00 SLC6A9 (0.46) SLC6A9MAPTSMN1; SMN2LMNAGAA
SCHEMBL4854864 1.00 SLC6A9 (0.46) SLC6A9MAPTSMN1; SMN2LMNAGAA
SCHEMBL4848064 0.90 MAPT (0.45) SLC6A9MAPTSMN1; SMN2LMNAGAA
SCHEMBL4851264 0.90 MAPT (0.45) SLC6A9MAPTSMN1; SMN2LMNAGAA
SCHEMBL4852466 0.90 MAPT (0.42) SLC6A9MAPTSMN1; SMN2LMNAGAA
SCHEMBL4846630 0.90 MAPT (0.42) SLC6A9MAPTSMN1; SMN2LMNAGAA
SCHEMBL4854497 0.90 MEN1 (0.48) SLC6A9MAPTSMN1; SMN2LMNAGAA
SCHEMBL4852348 0.90 SLC6A9 (0.45) SLC6A9MAPTSMN1; SMN2LMNAGAA
SCHEMBL4848486 0.90 SLC6A9 (0.45) SLC6A9MAPTSMN1; SMN2LMNAGAA

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