SCHEMBL3139930

SCHEMBL3139930

O=C(O)Oc1ccnc(-c2ccc(Oc3ccc(Cl)cc3F)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.52
FPR2 P25090 7/20 0.52
FFAR4 Q5NUL3 2/20 0.44
IGFBP3 P17936 1/20 0.41
MET P08581 1/20 0.38

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
SCHEMBL3131656 0.88 SCN9A (0.52) SCN9AFPR2FFAR4MET
SCHEMBL3138733 0.84 SCN9A (0.55) SCN9AFPR2IGFBP3
SCHEMBL3138980 0.81 SCN9A (0.64) SCN9AFPR2
SCHEMBL6822861 0.80 SCN9A (0.55) SCN9AFPR2
SCHEMBL3129152 0.79 SCN9A (0.48) SCN9AFPR2
SCHEMBL3129012 0.79 SCN9A (0.55) SCN9AFPR2
SCHEMBL6324173 0.78 SCN9A (0.50) SCN9AFPR2
SCHEMBL27586185 0.78 SCN9A (0.50) SCN9AFPR2IGFBP3
SCHEMBL6822958 0.77 SCN9A (0.52) SCN9AFPR2
SCHEMBL29254684 0.74 LTA4H (0.48) SCN9AFPR2FFAR4

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-1265866-B1 ARYL SUBSTITUTED PYRIDINES, PYRIMIDINES, PYRAZINES AND TRIAZINES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-07-21 EP claimed