SCHEMBL29604266

SCHEMBL29604266

FC(F)Oc1cc(-c2cnc(C(F)F)c(CN3CCOC3)c2)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 18/20 0.45
GRIN1 Q05586 15/20 0.45
GRM2 Q14416 1/20 0.42
KCNH2 Q12809 4/20 0.42

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
SCHEMBL29604273 0.89 GRIN1 (0.44) GRIN2BGRIN1KCNH2
SCHEMBL22770938 0.81 GRIN1 (0.56) GRIN2BGRIN1
SCHEMBL29603702 0.81 GRIN1 (0.56) GRIN2BGRIN1
SCHEMBL29603710 0.80 GRIN1 (0.64) GRIN2BGRIN1
SCHEMBL22770778 0.80 GRIN1 (0.64) GRIN2BGRIN1
SCHEMBL22787261 0.79 GRIN2B (0.50) GRIN2BGRIN1KCNH2
Hydrochloric Acid SCHEMBL22770963 0.78 GRIN2B (0.49) GRIN2BGRIN1KCNH2
Hydrochloric Acid SCHEMBL29603966 0.78 GRIN2B (0.49) GRIN2BGRIN1KCNH2
SCHEMBL29603911 0.74 LRRK2 (0.43) GRIN2BGRIN1
SCHEMBL22770770 0.70 GRIN1 (0.61) GRIN2BGRIN1

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-3983074-A1 PYRIDINE CARBAMATES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-04-20 EP claimed
EP-3983074-A1 PYRIDINE CARBAMATES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-04-20 EP disclosed