SCHEMBL4846881

SCHEMBL4846881

Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(C=CC(=O)c3ccccc3O)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.48
AR P10275 3/20 0.46
BCHE P06276 2/20 0.43
GUSB P08236 1/20 0.43
ACHE P22303 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MAPT P10636 5/20 0.43
CHRNA7 P36544 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
NPC1 O15118 3/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL4849810 0.92 ABCB1 (0.43) MAOBARBCHEACHEALDH1A1
SCHEMBL4849710 0.89 SYK (0.42) ARBCHEACHEALDH1A1KDM4E
SCHEMBL4852423 0.89 SYK (0.43) MAOBARBCHEACHEMAPT
SCHEMBL4847248 0.89 HTR7 (0.43) MAOBARBCHEACHEMAPT
SCHEMBL4849980 0.89 SLC6A9 (0.42) MAOBBCHEACHEALDH1A1KDM4E
SCHEMBL14280886 0.89 SYK (0.43) MAOBARBCHEACHEMAPT
SCHEMBL4846870 0.89 CHRNA7 (0.43) MAOBARBCHEGUSBACHE
SCHEMBL4847743 0.89 CHRNA7 (0.43) MAOBARBCHEGUSBACHE
SCHEMBL4852988 0.88 HRH1 (0.41) MAOBARBCHEACHEALDH1A1
SCHEMBL4853942 0.88 AR (0.45) MAOBARBCHEACHEMAPT

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 3 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
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