SCHEMBL6507869

SCHEMBL6507869

O=c1n(CC(F)(F)F)cnc2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.49
AVPR2 P30518 3/20 0.37
AVPR1A P37288 3/20 0.37
CYP17A1 P05093 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL6506902 0.89 CNR1 (0.44) CNR1ADORA2AADORA2BADORA1
SCHEMBL6510879 0.81 ADORA2A (0.41) CNR1ADORA2AADORA2BADORA1
SCHEMBL6509849 0.80 CNR1 (0.51) CNR1AVPR2AVPR1AADORA2AADORA2B
SCHEMBL6269210 0.78 CNR1 (0.46) CNR1AVPR2AVPR1A
SCHEMBL6508430 0.75 CNR1 (0.44) CNR1AVPR2AVPR1AADORA2AADORA2B
SCHEMBL5380347 0.74 MAPK14 (0.43) CNR1AVPR2AVPR1AADORA2AADORA2B
SCHEMBL4842601 0.74 SRC (0.41) CNR1
SCHEMBL6514331 0.74 CNR1 (0.42) CNR1AVPR2AVPR1AADORA2AADORA2B
SCHEMBL4836399 0.74 CNR1 (0.38) CNR1ADORA2AADORA2BADORA1
SCHEMBL5380218 0.72 NPC1 (0.47) CNR1ADORA2AADORA2BADORA1

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