SCHEMBL7140205

SCHEMBL7140205

[NH]c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.46
IDO1 P14902 2/20 0.44
CES2 O00748 2/20 0.41
MPL P40238 2/20 0.40
PTPN5 P54829 1/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
DAO P14920 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
APP P05067 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL7601744 0.78 CES2 (0.52) PDE2AIDO1CES2MPL
SCHEMBL29827588 0.77 PDE2A (0.50) PDE2AIDO1CES2MPLPTPN5
SCHEMBL2147584 0.77 PDE2A (0.50) PDE2AIDO1CES2MPLPTPN5
SCHEMBL8781830 0.76 CES2 (0.50) PDE2ACES2PTPN5TSHRMAPK1
Lithium SCHEMBL2459422 0.75 PDE2A (0.48) PDE2AIDO1CES2MPLPTPN5
SCHEMBL2459420 0.75 PDE2A (0.48) PDE2AIDO1CES2MPLPTPN5
SCHEMBL11101764 0.74 PDE2A (0.48) PDE2ACES2PTPN5TSHRDAO
SCHEMBL5841906 0.73 CES2 (0.57) PDE2ACES2PTPN5TSHRMAPK1
SCHEMBL27937088 0.73 PDE2A (0.47) PDE2AIDO1CES2MPLPTPN5
SCHEMBL6743200 0.73 PDE2A (0.47) PDE2AIDO1CES2MPLGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330233-A1 METHOD OF TREATING STROKE ELI LILLY AND COMPANY (US) 2003-07-30 EP disclosed
WO-2002032389-A1 METHOD OF TREATING STROKE ELI LILLY AND COMPANY (US) 2002-04-25 WO disclosed