SCHEMBL7977816

SCHEMBL7977816

CCOC(=O)c1nn(-c2ccccc2I)c(-c2ccc(OC)cc2)c1C#N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.65
CNR2 P34972 4/20 0.65
OPRK1 P41145 3/20 0.65
HTR1A P08908 2/20 0.65
TSPO P30536 2/20 0.65
OPRM1 P35372 2/20 0.65
MAPT P10636 3/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 4/20 0.47
RECQL P46063 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL219356 0.83 CNR1 (0.67) CNR1CNR2MAPTMAPK1KDM4E
SCHEMBL7963615 0.79 CNR1 (1.00) CNR1CNR2OPRK1HTR1ATSPO
SCHEMBL14369638 0.77 KDM4E (0.68) MAPTMAPK1ALDH1A1KDM4EHPGD
SCHEMBL219061 0.75 KDM4E (0.69) CNR1CNR2MAPTMAPK1KDM4E
SCHEMBL4633677 0.75 PDE4B (0.52) CNR1ALDH1A1RECQLPOLBAPEX1
SCHEMBL4791922 0.75 KDM4E (0.57) CNR1CNR2MAPTMAPK1KDM4E
SCHEMBL4074146 0.72 KDM4E (0.65) CNR1CNR2MAPTMAPK1KDM4E
SCHEMBL19544901 0.72 ALDH1A1 (0.52) MAPTMAPK1ALDH1A1KDM4ERECQL
SCHEMBL3825455 0.70 CNR1 (0.59) CNR1CNR2OPRK1HTR1ATSPO
SCHEMBL7884933 0.70 KDM4E (0.78) MAPTMAPK1ALDH1A1KDM4ERECQL

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-2009140210-A2 RADIOTRACERS FOR IMAGING CANNABINOID SUB-TYPE1 (CB1) RECEPTOR THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-11-19 WO disclosed