SCHEMBL5142201

SCHEMBL5142201

Cn1cc(OC(=O)Nc2ccccc2-c2cccc(Cl)c2)c(CF)n1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 17/20 0.50
CHRM1 P11229 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5345290 0.87 CHRM3 (0.51) CHRM3
SCHEMBL3037326 0.85 CHRM3 (0.48) CHRM3CHRM1ALDH1A1TDP1L3MBTL1
SCHEMBL3034453 0.85 CHRM3 (0.48) CHRM3CHRM1
SCHEMBL4563782 0.84 CHRM3 (0.48) CHRM3CHRM1
SCHEMBL4171956 0.84 JAK2 (0.48) CHRM3CHRM1ALDH1A1TDP1L3MBTL1
SCHEMBL4028248 0.82 CHRM3 (0.52) CHRM3CHRM1
SCHEMBL4683580 0.82 CHRM3 (0.49) CHRM3
SCHEMBL15732721 0.81 CHRM3 (0.48) CHRM3
SCHEMBL4563806 0.80 CHRM3 (0.42) CHRM3
SCHEMBL5338919 0.80 CHRM3 (0.51) 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 claimed
WO-2007003603-A2 FUNGICIDE MIXTURES BASED ON 3-MONOSUBSTITUTED PYRAZOLE CARBOXYLIC ACID BIPHENYL AMIDES BASF AKTIENGESELLSCHAFT (DE) 2007-01-11 WO claimed