SCHEMBL9804440

SCHEMBL9804440

Fc1ccc(CCCCC(c2ccc(OC(F)(F)F)cc2)C(F)(F)F)cc1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.41
SLC6A4 P31645 1/20 0.40
CNR2 P34972 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
SCN9A Q15858 2/20 0.35
TRPV1 Q8NER1 2/20 0.35
EPHX1 P07099 1/20 0.34
PLA2G4A P47712 1/20 0.34
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
MPO P05164 1/20 0.33
CETP P11597 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL9804313 0.84 SLC5A2 (0.40) CNR2
SCHEMBL9493734 0.80 CETP (0.40) SLC7A5SLC6A4EPHX1CETP
4-Phenyl-Butylamine SCHEMBL6687616 0.78 SLC7A5 (0.55) SLC7A5SCN9AEPHX1DRD2DRD4
SCHEMBL9679977 0.78 SLC6A4 (0.40) SLC7A5SLC6A4CNR2CYP11B1CYP11B2
SCHEMBL9492405 0.77 CETP (0.50) CETP
SCHEMBL9491970 0.72 FDFT1 (0.50) TRPV1CETP
SCHEMBL9570839 0.70 TACR1 (0.39)
SCHEMBL9560920 0.69 SLC5A2 (0.40) CNR2
SCHEMBL9804660 0.69 CETP (0.44) CETP
SCHEMBL7929110 0.69 FDFT1 (0.37)

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-0240121-B1 DIPHENYL ETHER DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-17 EP disclosed
US-4791139-A Diphenyl ether derivatives and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-13 US disclosed