SCHEMBL6509276

SCHEMBL6509276

Cc1nc2c(/C=C/c3ccccc3)c(-c3ccccc3Cl)nn2c(=O)n1CC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.39
ALDH1A1 P00352 3/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GFER P55789 1/20 0.31
AVPR2 P30518 2/20 0.31
AVPR1A P37288 2/20 0.31
APAF1 O14727 1/20 0.30
NSD2 O96028 1/20 0.30
PTPN7 P35236 1/20 0.30
DUSP3 P51452 1/20 0.30
PAX8 Q06710 1/20 0.30
PTPN22 Q9Y2R2 1/20 0.30

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
SCHEMBL6509280 1.00 CNR1 (0.39) CNR1ALDH1A1USP2LMNAKDM4E
SCHEMBL6517585 0.82 CNR1 (0.43) CNR1HSD17B10KMT2AMEN1AVPR2
SCHEMBL6509849 0.79 CNR1 (0.51) CNR1AVPR2AVPR1AHTT
SCHEMBL6510956 0.77 CNR1 (0.42) CNR1AVPR2AVPR1A
SCHEMBL6506306 0.77 CNR1 (0.39) CNR1KMT2AMEN1AVPR2AVPR1A
SCHEMBL6510280 0.75 CNR1 (0.38) CNR1
SCHEMBL6509571 0.75 PIK3CA (0.44) CNR1AVPR1A
SCHEMBL6510167 0.73 CNR1 (0.36) CNR1USP2
SCHEMBL6508430 0.72 CNR1 (0.44) CNR1AVPR2AVPR1AHTT
SCHEMBL6514331 0.71 CNR1 (0.42) CNR1AVPR2AVPR1AHTT

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