SCHEMBL5087439

SCHEMBL5087439

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.40
ADORA2A P29274 1/20 0.39
ELANE P08246 1/20 0.38
ENPP1 P22413 1/20 0.38
NR3C1 P04150 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
SCHEMBL5141372 0.87 CHRM3 (0.51) CHRM3
SCHEMBL3045842 0.87 CHRM3 (0.48) CHRM3
SCHEMBL3034453 0.86 CHRM3 (0.48) CHRM3
SCHEMBL5141001 0.85 CHRM3 (0.50) CHRM3PTGDR2ADORA2AELANE
SCHEMBL5623350 0.85 AR (0.42) CHRM3NR3C1
SCHEMBL4161715 0.84 CHRM3 (0.50) CHRM3
SCHEMBL4805358 0.84 CHRM3 (0.39) CHRM3
SCHEMBL4797560 0.83 CA12 (0.39) CHRM3
SCHEMBL4846696 0.83 TACR1 (0.46) CHRM3
SCHEMBL3034363 0.83 CHRM3 (0.47) 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 4 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 claimed
WO-2007003603-A2 FUNGICIDE MIXTURES BASED ON 3-MONOSUBSTITUTED PYRAZOLE CARBOXYLIC ACID BIPHENYL AMIDES BASF AKTIENGESELLSCHAFT (DE) 2007-01-11 WO claimed
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