SCHEMBL22228209

SCHEMBL22228209

O=C(CN1C[C@H]2CC(Oc3cccnc3)C[C@H]2C1)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 20/20 1.00
GRIN2B Q13224 20/20 1.00

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
SCHEMBL17643118 1.00 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL24270936 1.00 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL29883019 1.00 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL17643123 1.00 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL22228188 0.88 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL22228187 0.88 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL17643131 0.88 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20091026 0.88 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL22228146 0.86 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL17643071 0.86 GRIN1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3974420-B1 N-ALKYLARYL-5-OXYHETEROARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B NOVARTIS AG (CH) 2023-08-16 EP disclosed
EP-3683207-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B Cadent Therapeutics, Inc. (US) 2020-07-22 EP disclosed