SCHEMBL6508430

SCHEMBL6508430

Cc1nc2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn2c(=O)n1CC(C)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.44
AVPR2 P30518 8/20 0.39
AVPR1A P37288 8/20 0.39
HTT P42858 1/20 0.39
ADRB2 P07550 1/20 0.37
ADRA2A P08913 1/20 0.37
AGTR1 P30556 1/20 0.37
GLP1R P43220 1/20 0.37
CX3CR1 P49238 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ADGRF1 Q5T601 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
CNR2 P34972 3/20 0.37
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
SCHEMBL6509849 0.93 CNR1 (0.51) CNR1AVPR2AVPR1AHTTADORA2A
SCHEMBL6514331 0.91 CNR1 (0.42) CNR1AVPR2AVPR1AHTTCNR2
SCHEMBL6512878 0.83 TRPA1 (0.42) CNR1AVPR2AVPR1ACNR2ADORA2A
SCHEMBL6513768 0.82 CNR1 (0.38) CNR1AVPR2AVPR1ACNR2
SCHEMBL6510956 0.81 CNR1 (0.42) CNR1AVPR2AVPR1AADORA2AADORA2B
SCHEMBL6509571 0.79 PIK3CA (0.44) CNR1AVPR1AADORA2AADORA2BADORA1
SCHEMBL6506306 0.77 CNR1 (0.39) CNR1AVPR2AVPR1AADORA2AADORA2B
SCHEMBL6517585 0.77 CNR1 (0.43) CNR1AVPR2AVPR1A
SCHEMBL6510280 0.76 CNR1 (0.38) CNR1CNR2
SCHEMBL6507869 0.75 CNR1 (0.49) CNR1AVPR2AVPR1AADORA2AADORA2B

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