SCHEMBL6510280

SCHEMBL6510280

Cc1nc2c(-c3ccc(C(F)(F)F)cn3)c(-c3ccccc3Cl)nn2c(=O)n1CC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.38
PDE2A O00408 6/20 0.35
METAP2 P50579 3/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
CRHR1 P34998 3/20 0.35
MAT2A P31153 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PTGES O14684 1/20 0.34
PDE10A Q9Y233 1/20 0.33
CNR2 P34972 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
SCHEMBL6510956 0.91 CNR1 (0.42) CNR1METAP2CRHR1
SCHEMBL6509849 0.82 CNR1 (0.51) CNR1
SCHEMBL6509571 0.80 PIK3CA (0.44) CNR1PDE2AMAT2APTGESPDE10A
SCHEMBL6506306 0.80 CNR1 (0.39) CNR1CRHR1MAT2A
SCHEMBL6517585 0.80 CNR1 (0.43) CNR1
SCHEMBL6510167 0.79 CNR1 (0.36) CNR1METAP2
SCHEMBL6508430 0.76 CNR1 (0.44) CNR1CNR2
SCHEMBL6509280 0.75 CNR1 (0.39) CNR1
SCHEMBL6509276 0.75 CNR1 (0.39) CNR1
SCHEMBL6514331 0.75 CNR1 (0.42) CNR1SMN1; SMN2CNR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005049615-A1 PYRAZOLO`1,5-A!`1,3,5! TRIAZIN -4-ONE DERIVATIVES AS CB1 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-06-02 WO claimed
WO-2005049615-A1 PYRAZOLO`1,5-A!`1,3,5! TRIAZIN -4-ONE DERIVATIVES AS CB1 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-06-02 WO disclosed