SCHEMBL805978

SCHEMBL805978

C[C@H](Nc1cc(N)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1)C(N)=O

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.78
FPR2 P25090 8/20 0.66

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
SCHEMBL787668 0.88 SCN9A (1.00) SCN9AFPR2
SCHEMBL787669 0.88 SCN9A (1.00) SCN9AFPR2
SCHEMBL787970 0.86 SCN9A (1.00) SCN9AFPR2
SCHEMBL787969 0.86 SCN9A (1.00) SCN9AFPR2
SCHEMBL27905948 0.83 SCN9A (0.70) SCN9AFPR2
SCHEMBL792299 0.83 SCN9A (0.70) SCN9AFPR2
SCHEMBL792300 0.83 SCN9A (0.70) SCN9AFPR2
SCHEMBL10224505 0.82 SCN9A (0.78) SCN9AFPR2
SCHEMBL9953873 0.79 SCN9A (1.00) SCN9AFPR2
SCHEMBL14743199 0.79 SCN9A (1.00) SCN9AFPR2

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-2012035421-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2012-03-22 WO disclosed