SCHEMBL16627698

SCHEMBL16627698

O=C(NCCc1ccc(F)cc1)c1cc2ccccc2n(C(=O)Cc2ccc(OC(F)(F)F)cc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.47
CNR1 P21554 4/20 0.47
LTA4H P09960 2/20 0.47
EPHX2 P34913 2/20 0.47
TRPV1 Q8NER1 6/20 0.42
SLC6A5 Q9Y345 1/20 0.42
NR1H2 P55055 2/20 0.40
AHR P35869 1/20 0.39

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
SCHEMBL16627697 0.89 CNR2 (0.49) CNR2CNR1AHR
SCHEMBL16627591 0.82 NR1H2 (0.48) CNR2CNR1LTA4HEPHX2TRPV1
SCHEMBL16627881 0.79 SMN1; SMN2 (0.50) CNR2CNR1AHR
SCHEMBL16627837 0.79 NR1H2 (0.41) CNR2CNR1NR1H2
SCHEMBL16627836 0.78 NR1H2 (0.42) CNR2CNR1NR1H2
SCHEMBL16627841 0.77 NR1H2 (0.41) CNR2CNR1NR1H2
SCHEMBL5441809 0.73 CNR1 (0.52) CNR2CNR1AHR
SCHEMBL16627714 0.70 SMN1; SMN2 (0.43) CNR2CNR1NR1H2
SCHEMBL16627884 0.69 SMN1; SMN2 (0.43) CNR2CNR1NR1H2
SCHEMBL16627883 0.69 SMN1; SMN2 (0.43) CNR2CNR1NR1H2

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-2015050379-A1 NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF 광주과학기술원 2015-04-09 WO disclosed