SCHEMBL2861772

SCHEMBL2861772

CCCOc1ccc(C(C)c2ccc(CN(C(=O)CCC3CCCC3)c3ccc4c(c3)OC(C)(C)OC4=O)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
LTB4R2 Q9NPC1 7/20 0.36
HTR5A P47898 1/20 0.35
F2 P00734 5/20 0.35
F10 P00742 4/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
TP53 P04637 1/20 0.31
MAOB P27338 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL2861774 0.93 GAA (0.38) GAAMAPTLTB4R2HTR5AF2
SCHEMBL13711754 0.93 LTB4R2 (0.43) GAAMAPTLTB4R2HTR5AF2
SCHEMBL2853035 0.91 GAA (0.37) GAAMAPTLTB4R2HTR5AF2
SCHEMBL2850998 0.91 LTB4R2 (0.37) GAALTB4R2TP53
SCHEMBL2861740 0.91 SLC6A4 (0.34) LTB4R2HTR5AF2F10
SCHEMBL2861742 0.84 SLC6A4 (0.37) LTB4R2HTR5AF2F10
SCHEMBL2851001 0.83 LTB4R2 (0.39) LTB4R2
SCHEMBL13711758 0.83 SLC6A4 (0.41) LTB4R2HTR5A
SCHEMBL2853674 0.83 LTB4R2 (0.37) GAALTB4R2F2F10ITGB3
SCHEMBL4457062 0.83 SLC6A4 (0.35) LTB4R2HTR5AF2F10ITGB3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP disclosed