SCHEMBL5141001

SCHEMBL5141001

Cn1cc(OC(=O)Nc2ccccc2-c2cccc(C#N)c2)c(C(F)F)n1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 16/20 0.50
ADORA2A P29274 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
ELANE P08246 1/20 0.36
PDE4D Q08499 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
SCHEMBL3784960 0.87 CHRM3 (0.48) CHRM3
SCHEMBL3037326 0.86 CHRM3 (0.48) CHRM3
SCHEMBL5087439 0.85 CHRM3 (0.50) CHRM3ADORA2APTGDR2ELANE
SCHEMBL4685515 0.84 CHRM3 (0.49) CHRM3
SCHEMBL4174290 0.84 CHRM3 (0.50) CHRM3
SCHEMBL4835379 0.83 CHRM3 (0.47) CHRM3
SCHEMBL5179370 0.82 CHRM3 (0.48) CHRM3
SCHEMBL4794346 0.82 RXFP1 (0.37) CHRM3
SCHEMBL3042223 0.82 CHRM3 (0.46) CHRM3
SCHEMBL1128063 0.82 CHRM3 (0.46) CHRM3

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
EP-1901609-A2 FUNGICIDE MIXTURES BASED ON 3-MONOSUBSTITUTED PYRAZOLE CARBOXYLIC ACID BIPHENYL AMIDES BASF SE (DE) 2008-03-26 EP disclosed
WO-2007003603-A2 FUNGICIDE MIXTURES BASED ON 3-MONOSUBSTITUTED PYRAZOLE CARBOXYLIC ACID BIPHENYL AMIDES BASF AKTIENGESELLSCHAFT (DE) 2007-01-11 WO disclosed