SCHEMBL3822210

SCHEMBL3822210

CCN(c1nc(CN(CC(N)=O)c2ccc(F)cc2)cs1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 19/20 0.39
GRIA2 P42262 16/20 0.39
GRIN1 Q05586 17/20 0.38
JAK2 O60674 1/20 0.33

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
SCHEMBL3822208 0.83 GRM1 (0.34) GRIN2AGRIA2GRIN1
SCHEMBL3060078 0.82 GRM1 (0.35) GRIN2AGRIA2GRIN1
SCHEMBL8187785 0.80 GRM1 (0.33) GRIN2AGRIA2GRIN1
SCHEMBL3816257 0.80 CAPN1 (0.33) GRIN2AGRIA2GRIN1
SCHEMBL3820120 0.80 CAPN1 (0.33) GRIN2AGRIA2GRIN1
SCHEMBL3064059 0.80 GRM1 (0.34) GRIN2AGRIA2GRIN1
SCHEMBL3064082 0.78 CNR2 (0.44) GRIN2AGRIA2GRIN1
SCHEMBL3816035 0.78 ITGB3 (0.35)
SCHEMBL4736753 0.78 GRM1 (0.42)
SCHEMBL3820116 0.78 CAPN1 (0.34) GRIN2AGRIA2GRIN1

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-2091917-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-08-26 EP claimed
WO-2008073934-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed