SCHEMBL29603580

SCHEMBL29603580

COCC[C@@H](O)Cn1ncc2ncc(-c3cccc(C(F)(F)F)c3)cc21

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 20/20 0.60
▸ GRIN2B Q13224 20/20 0.60

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
SCHEMBL22771389 1.00 GRIN1 (0.60) GRIN1GRIN2B
SCHEMBL22771453 0.83 GRIN1 (0.65) GRIN1GRIN2B
SCHEMBL22774683 0.83 GRIN1 (0.65) GRIN1GRIN2B
SCHEMBL22771474 0.81 GRIN1 (0.62) GRIN1GRIN2B
SCHEMBL29604201 0.81 GRIN1 (0.62) GRIN1GRIN2B
SCHEMBL22771485 0.81 GRIN1 (0.65) GRIN1GRIN2B
SCHEMBL22775035 0.79 GRIN1 (0.62) GRIN1GRIN2B
SCHEMBL22788176 0.78 GRIN1 (0.59) GRIN1GRIN2B
SCHEMBL29603440 0.78 GRIN1 (0.59) GRIN1GRIN2B
SCHEMBL28679000 0.76 GRIN1 (0.70) GRIN1GRIN2B

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-3983073-A1 SUBSTITUTED PYRAZOLO[4,3-B]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-04-20 — — EP disclosed
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