SCHEMBL8614731

SCHEMBL8614731

CCCCCc1cc(CCCCC)n(C)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
KCNH2 Q12809 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
TBXAS1 P24557 1/20 0.35
PTGS2 P35354 3/20 0.34
CYP3A4 P08684 1/20 0.34
TLR7 Q9NYK1 3/20 0.34
MIF P14174 1/20 0.34
CYP19A1 P11511 3/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL27541127 0.94 TLR7 (0.38) CNR2CNR1KCNH2GPR84GABRA2
SCHEMBL22435182 0.81 GPR84 (0.35) GPR84TLR7NOS2
SCHEMBL25301319 0.81 TLR7 (0.41) GPR84TBXAS1PTGS2CYP3A4TLR7
SCHEMBL28136861 0.79 KCNH2 (0.44) CNR2CNR1KCNH2GPR84GABRA2
SCHEMBL19304378 0.79 GPR84 (0.42) KCNH2GPR84TBXAS1PTGS2TLR7
SCHEMBL9524011 0.76 CNR2 (0.39) CNR2CNR1KCNH2GPR84
SCHEMBL13098270 0.75 GABRA2 (0.44) CNR2CNR1KCNH2GPR84GABRA2
SCHEMBL20903983 0.75 CNR2 (0.39) CNR2CNR1KCNH2GPR84GABRA2
SCHEMBL14424414 0.74 MEN1 (0.44) KCNH2GPR84NOS2
SCHEMBL2631521 0.74 BCHE (0.46) CNR2CNR1KCNH2CYP3A4TLR7

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847154-A Method of preparing 1,2-dimethyl-3,5-diarylpyrazolium methylsulfates BASF AKTIENGESELLSCHAFT (DE) 1998-12-08 US claimed
EP-0843665-A1 METHOD OF PREPARING 1,2-DIMETHYL-3,5-DIARYLPYRAZOLIUM METHYLSULPHATES BASF AKTIENGESELLSCHAFT (DE) 1998-05-27 EP claimed
WO-1997006148-A1 METHOD OF PREPARING 1,2-DIMETHYL-3,5-DIARYLPYRAZOLIUM METHYLSULPHATES BASF AKTIENGESELLSCHAFT (DE) 1997-02-20 WO claimed
CN-1092186-C Preparation method of 1, 2-dimethyl-3, 5-diaryl pyrazolium methylsulfate BASF AG (DE) 2002-10-09 CN disclosed
US-5847154-A Method of preparing 1,2-dimethyl-3,5-diarylpyrazolium methylsulfates BASF AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
US-5847154-A Method of preparing 1,2-dimethyl-3,5-diarylpyrazolium methylsulfates BASF AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
CN-1192734-A Preparation method of 1, 2-dimethyl-3, 5-diaryl pyrazolium methylsulfate BASF AG (DE) 1998-09-09 CN disclosed
EP-0843665-A1 METHOD OF PREPARING 1,2-DIMETHYL-3,5-DIARYLPYRAZOLIUM METHYLSULPHATES BASF AKTIENGESELLSCHAFT (DE) 1998-05-27 EP disclosed
EP-0843665-A1 METHOD OF PREPARING 1,2-DIMETHYL-3,5-DIARYLPYRAZOLIUM METHYLSULPHATES BASF AKTIENGESELLSCHAFT (DE) 1998-05-27 EP disclosed
WO-1997006148-A1 METHOD OF PREPARING 1,2-DIMETHYL-3,5-DIARYLPYRAZOLIUM METHYLSULPHATES BASF AKTIENGESELLSCHAFT (DE) 1997-02-20 WO disclosed
WO-1997006148-A1 METHOD OF PREPARING 1,2-DIMETHYL-3,5-DIARYLPYRAZOLIUM METHYLSULPHATES BASF AKTIENGESELLSCHAFT (DE) 1997-02-20 WO disclosed