SCHEMBL15089245

SCHEMBL15089245

c1ccc(-c2cc(-c3ccccc3)nc(N3c4cc5c(cc4-c4cccc6cccc3c46)c3cc(-c4ccccn4)ccc3n5-c3ccccc3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.36
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
DHFR P00374 1/20 0.31
GRM5 P41594 2/20 0.31
DHODH Q02127 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
SCHEMBL15089082 0.95 PDE6D (0.35) PDE6DDHODH
SCHEMBL15089357 0.92 PDE6D (0.36) PDE6DHTR1AHTR7DHFRGRM5
SCHEMBL15089159 0.92 PDE6D (0.40) PDE6D
SCHEMBL15088795 0.90 PDE6D (0.37) PDE6DHTR1AHTR7
SCHEMBL15088813 0.90 PDE6D (0.38) PDE6DHTR1AHTR7DHFRGRM5
SCHEMBL15089239 0.89 PDE6D (0.44) PDE6DHTR1AHTR7DHFRGRM5
SCHEMBL15089354 0.89 KDM4E (0.39) PDE6DHTR1AHTR7DHFRGRM5
SCHEMBL15089246 0.89 PDE6D (0.35) PDE6DHTR1AHTR7DHFRGRM5
SCHEMBL15088786 0.89 PDE6D (0.38) PDE6DHTR1AHTR7
SCHEMBL15089358 0.89 PDE6D (0.39) PDE6DHTR1AHTR7DHFRGRM5

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
WO-2013100497-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-07-04 WO disclosed