SCHEMBL6513768

SCHEMBL6513768

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.38
CNR2 P34972 2/20 0.38
AKR1B10 O60218 1/20 0.37
AVPR2 P30518 4/20 0.37
AVPR1A P37288 4/20 0.37
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL6512878 0.90 TRPA1 (0.42) CNR1CNR2AKR1B10AVPR2AVPR1A
SCHEMBL6509849 0.83 CNR1 (0.51) CNR1AVPR2AVPR1A
SCHEMBL6514331 0.82 CNR1 (0.42) CNR1CNR2AVPR2AVPR1ASMN1; SMN2
SCHEMBL6508430 0.82 CNR1 (0.44) CNR1CNR2AVPR2AVPR1A
SCHEMBL8261401 0.74 CNR1 (0.45) CNR1CNR2KDM4EMAPTPOLB
SCHEMBL4832926 0.74 CNR1 (0.45) CNR1CNR2KDM4EMAPTPOLB
SCHEMBL5391337 0.73 MAPT (0.49) CNR1CNR2KDM4ETDP1MAPT
SCHEMBL14577345 0.73 MEN1 (0.62) CNR1CNR2KDM4ETDP1MAPT
SCHEMBL5375242 0.73 MAPT (0.64) CNR1CNR2KDM4ETDP1MAPT
SCHEMBL6506902 0.73 CNR1 (0.44) CNR1CNR2

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