SCHEMBL21236848

SCHEMBL21236848

N#Cc1cc(N2CCN(C(N)N)CC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.71
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL805966 0.84 SCN9A (0.69) SCN9A
SCHEMBL787594 0.83 SCN9A (1.00) SCN9A
SCHEMBL29421431 0.79 SCN9A (1.00) SCN9A
SCHEMBL787301 0.79 SCN9A (1.00) SCN9A
SCHEMBL805965 0.77 SCN9A (0.70) SCN9A
SCHEMBL805959 0.74 SCN9A (0.61) SCN9A
SCHEMBL805982 0.71 SCN9A (0.64) SCN9ASMN1; SMN2
SCHEMBL805985 0.71 SCN9A (0.60) SCN9ASMN1; SMN2
SCHEMBL805881 0.69 SCN9A (0.76) SCN9A
SCHEMBL15383836 0.69 SCN9A (0.60) SCN9ASMN1; SMN2

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-2616441-B1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2019-08-07 EP disclosed