SCHEMBL8628024

SCHEMBL8628024

FC(F)(F)Oc1ccc(NCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.41
HTT P42858 2/20 0.39
FFAR4 Q5NUL3 4/20 0.37
SCN5A Q14524 2/20 0.37
CYP3A4 P08684 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1C Q13936 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR1 O14842 1/20 0.36
CYP2C9 P11712 1/20 0.36
POLB P06746 1/20 0.36
EPHX2 P34913 2/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL8656316 0.97 HTT (0.39) SCN9AHTTFFAR4SCN5ACYP3A4
SCHEMBL8627241 0.97 HTT (0.40) SCN9AHTTFFAR4SCN5ACYP3A4
SCHEMBL8408424 0.88 HTT (0.38) SCN9AHTTSCN8AALDH1A1
SCHEMBL8406151 0.88 FFAR4 (0.44) HTTFFAR4SCN5ACYP3A4KCNH2
SCHEMBL8519621 0.88 FFAR4 (0.44) HTTFFAR4SCN5ACYP3A4KCNH2
SCHEMBL7977645 0.86 EPHX2 (0.48) HTTCYP3A4KDM4EALDH1A1MAPT
SCHEMBL8659785 0.85 PLAU (0.39) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL8659999 0.85 HTT (0.37) SCN9AHTTSCN8AKDM4E
SCHEMBL7977858 0.85 HTT (0.46) HTTFFAR4SCN5ACYP3A4KCNH2
SCHEMBL8065652 0.85 TRPV1 (0.51) EPHX2TRPV1

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-0722430-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 1998-10-21 EP disclosed
EP-0824514-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-02-25 EP disclosed
EP-0722430-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-07-24 EP disclosed
WO-1996004228-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-02-15 WO disclosed