SCHEMBL29526480

SCHEMBL29526480

Cc1ncc(-c2ccc(Cl)c(OC(F)F)c2)nc1CCl

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 16/20 0.62
GRIN1 Q05586 11/20 0.62
KCNH2 Q12809 6/20 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
SCHEMBL22772542 1.00 GRIN2B (0.62) GRIN2BGRIN1KCNH2
SCHEMBL29527511 0.89 GRIN2B (0.61) GRIN2BGRIN1KCNH2
SCHEMBL22772486 0.89 GRIN2B (0.61) GRIN2BGRIN1KCNH2
SCHEMBL22772548 0.88 GRIN2B (0.61) GRIN2BGRIN1
SCHEMBL29526782 0.88 GRIN2B (0.61) GRIN2BGRIN1
SCHEMBL28677627 0.81 GRIN2B (0.52) GRIN2BGRIN1KCNH2
SCHEMBL22787239 0.78 GRIN2B (0.52) GRIN2BGRIN1KCNH2
SCHEMBL22772490 0.78 GRIN1 (1.00) GRIN2BGRIN1
SCHEMBL29526718 0.78 GRIN1 (1.00) GRIN2BGRIN1
Hydrochloric Acid SCHEMBL22770941 0.77 GRIN2B (0.51) GRIN2BGRIN1KCNH2

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-3983072-A1 PYRAZINE CARBAMATES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-04-20 EP disclosed