SCHEMBL16066436

SCHEMBL16066436

c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccccc6c6cc7ccccc7n6c5ccc43)c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
DHFR P00374 1/20 0.36
GRM5 P41594 9/20 0.35
NPY5R Q15761 1/20 0.34
MCL1 Q07820 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL16066828 0.95 HTR1A (0.41) HTR1AHTR7DHFRGRM5NPY5R
SCHEMBL16066251 0.94 HTR1A (0.42) HTR1AHTR7DHFRGRM5NPY5R
SCHEMBL16066633 0.90 HTR1A (0.41) HTR1AHTR7DHFRGRM5NPY5R
SCHEMBL16066861 0.89 HTR1A (0.40) HTR1AHTR7DHFRGRM5NPY5R
SCHEMBL16066215 0.88 HTR1A (0.44) HTR1AHTR7DHFRGRM5NPY5R
SCHEMBL17248291 0.88 HTR1A (0.49) HTR1AHTR7DHFRGRM5KDM4E
SCHEMBL16066987 0.87 HTR1A (0.44) HTR1AHTR7DHFRGRM5NPY5R
SCHEMBL16066384 0.87 GRM5 (0.33) HTR1AHTR7GRM5NPY5RMCL1
SCHEMBL16067186 0.86 HTR1A (0.41) HTR1AHTR7DHFRGRM5NPY5R
SCHEMBL16066388 0.86 HTR1A (0.43) HTR1AHTR7DHFRGRM5NPY5R

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-2014142488-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-09-18 WO disclosed