SCHEMBL15089360

SCHEMBL15089360

c1ccc(-n2c3ccccc3c3cc(-c4cccc(N5c6cc7c(cc6-c6cccc8cccc5c68)c5cc(-c6ccccn6)ccc5n7-c5ccccc5)c4)ccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
GRM5 P41594 9/20 0.34
DHFR P00374 1/20 0.34
NPY5R Q15761 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK14 Q16539 1/20 0.32
MCL1 Q07820 2/20 0.32
HTR2C P28335 1/20 0.30
DHODH Q02127 1/20 0.30

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
SCHEMBL15089032 0.99 PDE6D (0.35) PDE6DHTR1AHTR7GRM5DHFR
SCHEMBL15089358 0.96 PDE6D (0.39) PDE6DHTR1AHTR7GRM5DHFR
SCHEMBL15089040 0.95 PDE6D (0.39) PDE6DHTR1AHTR7GRM5DHFR
SCHEMBL15089254 0.94 GRM5 (0.35) PDE6DHTR1AHTR7GRM5DHFR
SCHEMBL15089042 0.94 NPY5R (0.35) PDE6DHTR1AHTR7GRM5DHFR
SCHEMBL15089094 0.93 PDE6D (0.38) PDE6DHTR1AHTR7DHFRNPY5R
SCHEMBL15089024 0.93 PDE6D (0.39) PDE6DHTR1AHTR7GRM5DHFR
SCHEMBL15088813 0.92 PDE6D (0.38) PDE6DHTR1AHTR7GRM5DHFR
SCHEMBL15089239 0.92 PDE6D (0.44) PDE6DHTR1AHTR7GRM5DHFR
SCHEMBL15089066 0.92 GRM5 (0.35) PDE6DHTR1AHTR7GRM5DHFR

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