SCHEMBL6511462

SCHEMBL6511462

Cc1ccccc1-c1nc2c(=O)n(CC(F)(F)F)cnc2n1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.44
CYP17A1 P05093 1/20 0.38
CYP1A2 P05177 1/20 0.38
PTGS2 P35354 2/20 0.36
USP7 Q93009 1/20 0.36
PTGS1 P23219 1/20 0.36
METAP2 P50579 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
AKT1 P31749 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR2 P34972 3/20 0.34
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33

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
SCHEMBL6511403 0.89 CNR1 (0.55) CNR1CNR2
SCHEMBL6509208 0.83 CNR1 (0.53) CNR1CNR2
SCHEMBL6507861 0.81 CNR1 (0.64) CNR1CNR2
SCHEMBL6510603 0.80 CNR1 (0.53) CNR1CNR2
SCHEMBL6511538 0.79 CNR1 (0.55) CNR1CNR2
SCHEMBL6510070 0.79 CNR1 (0.55) CNR1CNR2
SCHEMBL6510954 0.77 CNR1 (0.52) CNR1GAACNR2
SCHEMBL6509222 0.77 CNR1 (0.52) CNR1CNR2
SCHEMBL13833763 0.65 TRPA1 (0.47) CNR1CYP17A1CYP1A2MEN1TSHR
SCHEMBL1688891 0.63 MAPT (0.43) CYP1A2GAAMEN1LMNAKMT2A

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-2005061505-A1 BICYCLIC IMIDAZOLYL PYRIMIDIN-4-ONE CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2005-07-07 WO disclosed