SCHEMBL4853736

SCHEMBL4853736

Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(C=CC(=O)c3ccccc3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.52
ACHE P22303 6/20 0.52
TNFRSF1A P19438 1/20 0.47
MCHR1 Q99705 1/20 0.43
SLC6A9 P48067 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
HRH1 P35367 1/20 0.42
ESR1 P03372 1/20 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
SCHEMBL4852218 0.91 CAPN1 (0.50) BCHEACHETNFRSF1AMAPTRAB9A
SCHEMBL4849986 0.91 BCHE (0.46) BCHEACHETNFRSF1A
SCHEMBL14280884 0.91 BCHE (0.46) BCHEACHETNFRSF1A
SCHEMBL4853514 0.90 NR1H4 (0.47) BCHEACHE
SCHEMBL4856242 0.90 BCHE (0.45) BCHEACHETNFRSF1AALDH1A1SMN1; SMN2
SCHEMBL4849921 0.90 BCHE (0.45) BCHEACHETNFRSF1AALDH1A1SMN1; SMN2
SCHEMBL4856637 0.89 LMNA (0.45) BCHEACHETNFRSF1AALDH1A1KDM4E
SCHEMBL4853345 0.89 RELA (0.48) BCHEACHETNFRSF1A
SCHEMBL6386830 0.89 ABCG2 (0.52) BCHEACHETNFRSF1AALDH1A1SMN1; SMN2
SCHEMBL4849810 0.88 ABCB1 (0.43) BCHEACHESLC6A9ALDH1A1SMN1; SMN2

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