SCHEMBL4847433

SCHEMBL4847433

COc1ccc(C(=O)C=Cc2cc(-c3cc(C)cc(C)c3)ccc2OCCN(C)C)cc1CN(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 8/20 0.46
PTPN1 P18031 4/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
ABCG2 Q9UNQ0 2/20 0.42
DPP4 P27487 1/20 0.41
MCHR1 Q99705 1/20 0.41
CAPN1 P07384 1/20 0.41
SNCA P37840 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
SCHEMBL4847119 0.93 SNCA (0.41) TNFRSF1APTPN1DPP4SNCA
SCHEMBL4847755 0.89 TNFRSF1A (0.46) TNFRSF1APTPN1ABCG2MCHR1CAPN1
SCHEMBL6386830 0.87 ABCG2 (0.52) TNFRSF1APTPN1ALDH1A1ABCG2DPP4
SCHEMBL4852794 0.86 MCHR1 (0.45) TNFRSF1APTPN1MEN1ALDH1A1KMT2A
SCHEMBL14280884 0.85 BCHE (0.46) TNFRSF1APTPN1ABCG2CAPN1
SCHEMBL4849986 0.85 BCHE (0.46) TNFRSF1APTPN1ABCG2CAPN1
SCHEMBL4852218 0.85 CAPN1 (0.50) TNFRSF1APTPN1DPP4CAPN1
SCHEMBL4852271 0.85 PDE4A (0.46) TNFRSF1APTPN1MEN1ALDH1A1KMT2A
SCHEMBL14280890 0.85 PDE4A (0.46) TNFRSF1APTPN1MEN1ALDH1A1KMT2A
SCHEMBL4846169 0.85 BCHE (0.42) TNFRSF1APTPN1

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