SCHEMBL6514331

SCHEMBL6514331

CCC(F)(F)Cn1c(C)nc2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn2c1=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.42
AVPR2 P30518 11/20 0.38
AVPR1A P37288 11/20 0.38
HTT P42858 1/20 0.37
CNR2 P34972 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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 0.92 CNR1 (0.51) CNR1AVPR2AVPR1AHTTADORA2A
SCHEMBL6508430 0.91 CNR1 (0.44) CNR1AVPR2AVPR1AHTTCNR2
SCHEMBL6513768 0.82 CNR1 (0.38) CNR1AVPR2AVPR1ACNR2SMN1; SMN2
SCHEMBL6512878 0.82 TRPA1 (0.42) CNR1AVPR2AVPR1ACNR2ADORA2A
SCHEMBL6510956 0.80 CNR1 (0.42) CNR1AVPR2AVPR1AADORA2AADORA2B
SCHEMBL6509571 0.78 PIK3CA (0.44) CNR1AVPR1AADORA2AADORA2BADORA1
SCHEMBL6506306 0.76 CNR1 (0.39) CNR1AVPR2AVPR1AADORA2AADORA2B
SCHEMBL6517585 0.75 CNR1 (0.43) CNR1AVPR2AVPR1A
SCHEMBL6510280 0.75 CNR1 (0.38) CNR1CNR2SMN1; SMN2
SCHEMBL6506902 0.74 CNR1 (0.44) CNR1CNR2ADORA2AADORA2BADORA1

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-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