SCHEMBL2861774

SCHEMBL2861774

CCCOc1ccc(CCc2ccc(CN(C(=O)CCC3CCCC3)c3ccc4c(c3)OC(C)(C)OC4=O)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
LTB4R2 Q9NPC1 6/20 0.38
HTR5A P47898 1/20 0.37
F2 P00734 3/20 0.36
F10 P00742 3/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A4 P31645 2/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL13711754 0.95 LTB4R2 (0.43) GAAMAPTLTB4R2HTR5AF2
SCHEMBL2853035 0.94 GAA (0.37) GAAMAPTLTB4R2HTR5AF2
SCHEMBL2861772 0.93 GAA (0.36) GAAMAPTLTB4R2HTR5AF2
SCHEMBL2861742 0.92 SLC6A4 (0.37) LTB4R2HTR5AF2F10SLC6A4
SCHEMBL2851001 0.91 LTB4R2 (0.39) LTB4R2MEN1KMT2ALMNASLC6A4
SCHEMBL13711758 0.89 SLC6A4 (0.41) LTB4R2HTR5ASLC6A4
SCHEMBL4457062 0.88 SLC6A4 (0.35) LTB4R2HTR5AF2F10ITGB3
SCHEMBL13711662 0.87 SLC6A4 (0.41) LTB4R2HTR5ASLC6A4
SCHEMBL2855107 0.86 PTPN11 (0.36) LTB4R2HTR5ASLC6A4
SCHEMBL2861740 0.86 SLC6A4 (0.34) LTB4R2HTR5AF2F10MEN1

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