SCHEMBL5570087

SCHEMBL5570087

CCN(CC)CC.CS(=O)(=O)OCc1ccc(C(F)(F)F)cc1Oc1cccc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 7/20 0.42
VEGFA P15692 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
HTR2A P28223 3/20 0.37
SLC6A4 P31645 3/20 0.37
KCNH2 Q12809 3/20 0.37
SCN9A Q15858 4/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
AR P10275 1/20 0.35
MCHR1 Q99705 1/20 0.35
SLC22A12 Q96S37 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
SCHEMBL2395800 0.94 EPAS1 (0.46) EPAS1VEGFAMRGPRX4HTR2ASLC6A4
SCHEMBL2398431 0.76 MRGPRX4 (0.46) EPAS1VEGFAMRGPRX4HTR2ASLC6A4
SCHEMBL2393357 0.73 PTGDR2 (0.43) EPAS1VEGFAMRGPRX4HTR2ASLC6A4
SCHEMBL4874724 0.73 PTGDR2 (0.48) EPAS1VEGFAMRGPRX4HTR2ASLC6A4
SCHEMBL2393446 0.73 PPARG (0.47) EPAS1VEGFAMRGPRX4PTGDR2
SCHEMBL5574572 0.71 PTGDR2 (0.47) EPAS1VEGFAMRGPRX4HTR2ASLC6A4
SCHEMBL29777469 0.71 MRGPRX4 (0.48) EPAS1VEGFAMRGPRX4PTGDR2AR
SCHEMBL2394657 0.69 EPAS1 (0.46) EPAS1VEGFAMRGPRX4PTGDR2AR
SCHEMBL5574574 0.69 PTGDR2 (0.45) EPAS1VEGFAMRGPRX4HTR2ASLC6A4
SCHEMBL3712674 0.69 TRPV4 (0.39) HTR2AKCNH2SLC22A12

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-1765768-A1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2006005909-A1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2006-01-19 WO disclosed