SCHEMBL4846696

SCHEMBL4846696

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.46
CHRM3 P20309 5/20 0.42
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NTRK1 P04629 1/20 0.39
ABCG2 Q9UNQ0 5/20 0.37
ABCB1 P08183 2/20 0.37
GAA P10253 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 0.92 CHRM3 (0.51) TACR1CHRM3NPC1ALDH1A1NTRK1
SCHEMBL4976454 0.91 CHRM3 (0.49) TACR1CHRM3NPC1ALDH1A1NTRK1
SCHEMBL3034363 0.90 CHRM3 (0.47) CHRM3NPC1NTRK1
SCHEMBL1128031 0.89 CHRM3 (0.40) CHRM3NPC1NTRK1
SCHEMBL3035362 0.89 CHRM3 (0.46) CHRM3NPC1NTRK1
SCHEMBL4775321 0.89 CHRM3 (0.46) CHRM3NPC1
SCHEMBL1538160 0.88 CHRM3 (0.40) CHRM3NPC1NTRK1
SCHEMBL4838355 0.87 TACR1 (0.43) TACR1CHRM3NPC1ALDH1A1NTRK1
SCHEMBL3045842 0.86 CHRM3 (0.48) CHRM3
SCHEMBL4848250 0.85 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 4 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 claimed
WO-2007003564-A1 FUNGICIDE MIXTURES BASED ON 3,5-DISUBSTITUTED PYRAZOL-CARBOXYLIC ACID BIPHENYLAMIDES BASF AKTIENGESELLSCHAFT (DE) 2007-01-11 WO claimed
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