SCHEMBL29551071

SCHEMBL29551071

Cc1cc(-c2cnc3cnn(CC(=O)N4CC(F)(F)C4)c3c2)ccc1F

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 20/20 0.73
▸ GRIN1 Q05586 8/20 0.65
▸ CYP2C9 P11712 3/20 0.56
▸ KCNH2 Q12809 2/20 0.56
▸ CYP2C19 P33261 1/20 0.56

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
SCHEMBL22775201 1.00 GRIN2B (0.73) GRIN2BGRIN1CYP2C9KCNH2CYP2C19
Trifluoroacetic Acid SCHEMBL29550660 0.95 GRIN2B (0.67) GRIN2BGRIN1CYP2C9KCNH2CYP2C19
SCHEMBL29550729 0.91 GRIN2B (0.71) GRIN2BGRIN1
SCHEMBL22775427 0.91 GRIN2B (0.71) GRIN2BGRIN1
SCHEMBL22775584 0.88 GRIN2B (0.60) GRIN2BGRIN1
SCHEMBL22775906 0.87 GRIN2B (0.70) GRIN2B
SCHEMBL29550913 0.87 GRIN2B (0.70) GRIN2B
SCHEMBL22775605 0.87 GRIN2B (0.74) GRIN2BGRIN1
SCHEMBL29550464 0.87 GRIN2B (0.74) GRIN2BGRIN1
SCHEMBL22775848 0.85 GRIN2B (0.72) 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-3983075-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-04-20 — — EP claimed
EP-3983075-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-04-20 — — EP disclosed
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