SCHEMBL7008000

SCHEMBL7008000

FC(F)(F)c1ccc(-c2cccc(Oc3ccnc(Cl)c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.49
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
SCN9A Q15858 8/20 0.42

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
SCHEMBL7009339 0.89 KMO (0.47) TRPV1
SCHEMBL7004813 0.83 S1PR1 (0.43) TRPV1S1PR1S1PR3
SCHEMBL5252670 0.82 S1PR1 (0.52) TRPV1S1PR1S1PR3SCN9A
SCHEMBL7009043 0.81 S1PR1 (0.53) TRPV1S1PR1S1PR3SCN9A
SCHEMBL8553275 0.81 GRM5 (0.41) TRPV1S1PR1S1PR3
SCHEMBL8721109 0.78 F2 (0.44)
SCHEMBL27314076 0.77 KCNH2 (0.46) S1PR1S1PR3SCN9A
SCHEMBL30864860 0.77 KCNH2 (0.46) S1PR1S1PR3SCN9A
SCHEMBL7866159 0.77 S1PR1 (0.44) TRPV1S1PR1S1PR3
SCHEMBL7009823 0.76 S1PR1 (0.48) TRPV1S1PR1S1PR3SCN9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723960-B1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines BASF AG (DE) 2003-04-02 EP claimed