SCHEMBL4838355

SCHEMBL4838355

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.43
CHRM3 P20309 7/20 0.41
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NTRK1 P04629 1/20 0.37
ABCG2 Q9UNQ0 5/20 0.36
ABCB1 P08183 2/20 0.36
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL4685515 0.93 CHRM3 (0.49) TACR1CHRM3NPC1ALDH1A1NTRK1
SCHEMBL4850213 0.91 CHRM3 (0.47) TACR1CHRM3NPC1ALDH1A1NTRK1
SCHEMBL4835379 0.87 CHRM3 (0.47) CHRM3
SCHEMBL4846696 0.87 TACR1 (0.46) TACR1CHRM3NPC1ALDH1A1NTRK1
SCHEMBL3042223 0.86 CHRM3 (0.46) CHRM3
SCHEMBL1128063 0.86 CHRM3 (0.46) CHRM3NPC1
SCHEMBL1128207 0.85 CHRM3 (0.40) CHRM3NPC1
SCHEMBL3800270 0.85 CHRM3 (0.40) CHRM3
SCHEMBL4648738 0.85 LMNA (0.40) CHRM3NPC1NTRK1
SCHEMBL4686169 0.84 CHRM3 (0.46) TACR1CHRM3NPC1ALDH1A1NTRK1

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