SCHEMBL4334944

SCHEMBL4334944

CN(C(=O)C1c2ccccc2C(=O)N1C1CN(C(=O)O)C1)c1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.43
KCNH2 Q12809 5/20 0.41
SCN5A Q14524 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
EPHX2 P34913 1/20 0.35
FFAR1 O14842 1/20 0.34
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL4321206 0.90 SCN9A (0.41) SCN9AKCNH2SCN5AGPR119
SCHEMBL4334938 0.80 SCN9A (0.62) SCN9AKCNH2SCN5A
SCHEMBL4331795 0.74 SMN1; SMN2 (0.35) SCN9AKCNH2SCN5A
SCHEMBL4329044 0.73 NPSR1 (0.40) SCN9AKCNH2SCN5AL3MBTL1MAPK1
SCHEMBL13579104 0.72 SCN9A (0.70) SCN9AKCNH2SCN5A
SCHEMBL4322993 0.71 SCN9A (0.58) SCN9AKCNH2SCN5A
SCHEMBL4326647 0.69 SCN9A (0.64) SCN9AKCNH2SCN5A
SCHEMBL4457879 0.67 SCN9A (0.68) SCN9AKCNH2SCN5A
SCHEMBL13579101 0.67 SCN9A (0.69) SCN9AKCNH2SCN5A
SCHEMBL4329573 0.64 SCN9A (0.66) SCN9AKCNH2SCN5A

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
WO-2009145720-A1 ISOINDOLINE DERIVATIVES COMPRISING ADDITIONAL HETEROCYCLIC GROUPS AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-12-03 WO claimed
WO-2009145720-A1 ISOINDOLINE DERIVATIVES COMPRISING ADDITIONAL HETEROCYCLIC GROUPS AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-12-03 WO disclosed