SCHEMBL4775321

SCHEMBL4775321

Cn1cc(OC(=O)Nc2ccccc2-c2cc(Cl)cc(Cl)c2)c(C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 0.46
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL4848250 0.94 CHRM3 (0.51) CHRM3LMNAPOLBMAPTMEN1
SCHEMBL5276665 0.94 CHRM3 (0.46) CHRM3LMNAPOLBMAPTMEN1
SCHEMBL3034453 0.92 CHRM3 (0.48) CHRM3LMNAPOLBMAPTMEN1
SCHEMBL1538160 0.91 CHRM3 (0.40) CHRM3LMNAPOLBMAPTMEN1
SCHEMBL3034363 0.89 CHRM3 (0.47) CHRM3NPC1
SCHEMBL4846696 0.89 TACR1 (0.46) CHRM3NPC1
SCHEMBL1683009 0.89 CHRM3 (0.41) CHRM3LMNAPOLBNPC1
SCHEMBL3150885 0.88 CHRM3 (0.48) CHRM3LMNAPOLBMAPTMEN1
SCHEMBL3035362 0.88 CHRM3 (0.46) CHRM3NPC1
SCHEMBL1128031 0.88 CHRM3 (0.40) CHRM3NPC1

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-1903867-A1 FUNGICIDE MIXTURES BASED ON 3,5-DISUBSTITUTED PYRAZOL-CARBOXYLIC ACID BIPHENYLAMIDES BASF SE (DE) 2008-04-02 EP disclosed
WO-2007003564-A1 FUNGICIDE MIXTURES BASED ON 3,5-DISUBSTITUTED PYRAZOL-CARBOXYLIC ACID BIPHENYLAMIDES BASF AKTIENGESELLSCHAFT (DE) 2007-01-11 WO disclosed