SCHEMBL805928

SCHEMBL805928

Cc1cc(C(=N)N)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.60
FPR2 P25090 2/20 0.47
SCN4A P35499 1/20 0.46

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
SCHEMBL805896 0.87 SCN9A (0.66) SCN9AFPR2
SCHEMBL14919880 0.83 SCN9A (0.64) SCN9AFPR2
SCHEMBL14920119 0.82 SCN9A (0.62) SCN9AFPR2
SCHEMBL805895 0.81 SCN9A (0.64) SCN9AFPR2
SCHEMBL15383816 0.79 SCN9A (0.59) SCN9AFPR2
SCHEMBL3143887 0.76 SCN9A (0.61) SCN9ASCN4A
SCHEMBL13270540 0.76 SCN9A (0.50) SCN9AFPR2SCN4A
SCHEMBL14921893 0.76 SCN9A (0.74) SCN9AFPR2
SCHEMBL21236955 0.76 SCN9A (0.67) SCN9AFPR2
SCHEMBL14920078 0.74 SCN9A (0.60) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616441-B1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2019-08-07 EP disclosed
WO-2012035421-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2012-03-22 WO disclosed