SCHEMBL3045842

SCHEMBL3045842

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

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 17/20 0.48
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
QPCT Q16769 1/20 0.41

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
SCHEMBL3034363 0.92 CHRM3 (0.47) CHRM3
SCHEMBL5141372 0.90 CHRM3 (0.51) CHRM3
SCHEMBL3034453 0.89 CHRM3 (0.48) CHRM3
SCHEMBL4848250 0.88 CHRM3 (0.51) CHRM3
SCHEMBL3035362 0.87 CHRM3 (0.46) CHRM3
SCHEMBL1128031 0.87 CHRM3 (0.40) CHRM3
SCHEMBL4805358 0.87 CHRM3 (0.39) CHRM3
SCHEMBL5087439 0.87 CHRM3 (0.50) CHRM3
SCHEMBL1538160 0.86 CHRM3 (0.40) CHRM3
SCHEMBL3043533 0.86 CHRM3 (0.48) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235005-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-10-06 EP disclosed
EP-2224812-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-09-08 EP disclosed
WO-2009077500-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 WO disclosed
WO-2009077471-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 WO disclosed
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