SCHEMBL17033792

SCHEMBL17033792

c1ccc(-c2cccc(-n3c4ccccc4c4c5cc6c7ccccc7c7ccccc7n6c5ccc43)c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
DHFR P00374 1/20 0.36
GRM5 P41594 15/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL17248291 0.88 HTR1A (0.49) HTR1AHTR7DHFRGRM5KDM4E
SCHEMBL17033552 0.87 HTR1A (0.41) HTR1AHTR7DHFRGRM5KDM4E
SCHEMBL17033417 0.86 HTR1A (0.42) HTR1AHTR7DHFRGRM5
SCHEMBL17033472 0.86 HTR1A (0.44) HTR1AHTR7DHFRGRM5KDM4E
SCHEMBL16066251 0.86 HTR1A (0.42) HTR1AHTR7DHFRGRM5KDM4E
SCHEMBL16066436 0.86 HTR1A (0.42) HTR1AHTR7DHFRGRM5KDM4E
SCHEMBL17248289 0.86 HTR1A (0.47) HTR1AHTR7DHFRGRM5KDM4E
SCHEMBL3133195 0.85 HTR1A (0.54) HTR1AHTR7DHFRGRM5KDM4E
SCHEMBL17033786 0.85 GRM5 (0.34) HTR1AHTR7DHFRGRM5KDM4E
SCHEMBL16066828 0.85 HTR1A (0.41) HTR1AHTR7DHFRGRM5KDM4E

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed