SCHEMBL434418

SCHEMBL434418

O=C(Nc1cc(F)c(F)nc1OC1CN(CCOc2ccc(Cl)cc2)C1)c1ccnc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.38
FGFR1 P11362 1/20 0.38
SCN9A Q15858 6/20 0.37
KCNA5 P22460 6/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DRD3 P35462 1/20 0.35
DRD2 P14416 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
F10 P00742 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL433487 0.92 SCN9A (0.40) FGFR1SCN9AGSK3AGSK3B
SCHEMBL432744 0.83 KDM4E (0.39) FGFR1SCN9AKCNA5HRH3DRD3
SCHEMBL432647 0.81 SCN9A (0.38) SCN9ADRD3DRD2GSK3AGSK3B
SCHEMBL432151 0.80 KDM4E (0.37) FGFR1SCN9AKCNA5HRH3DRD3
SCHEMBL432153 0.78 GSK3B (0.35) SCN9AGSK3AGSK3B
SCHEMBL432154 0.78 GSK3B (0.35) SCN9AGSK3AGSK3B
SCHEMBL431256 0.78 MCHR1 (0.34) SCN9AGSK3AGSK3B
SCHEMBL431257 0.78 MCHR1 (0.34) SCN9AGSK3AGSK3B
SCHEMBL432745 0.71 SCN9A (0.36) SCN9AGSK3AGSK3BF10
SCHEMBL435039 0.71 MCHR1 (0.34) SCN9AGSK3AGSK3B

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
WO-2012012366-A1 PESTICIDAL 3-(ARYLOXY)AZACYCLOALKANES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-26 WO disclosed