SCHEMBL22228201

SCHEMBL22228201

COc1ccc(O[C@@H]2C[C@@H]3CN(CC(=O)c4ccc(O)c(OC)n4)C[C@@H]3C2)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
SCHEMBL20983459 1.00 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL29882750 1.00 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL17643323 1.00 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20983460 0.89 GRIN2B (1.00) GRIN1GRIN2B
SCHEMBL22228163 0.89 GRIN2B (1.00) GRIN1GRIN2B
SCHEMBL17643088 0.89 GRIN2B (1.00) GRIN1GRIN2B
SCHEMBL24136342 0.82 GRIN2B (1.00) GRIN1GRIN2B
SCHEMBL17643094 0.82 GRIN2B (1.00) GRIN1GRIN2B
SCHEMBL20983408 0.82 GRIN2B (1.00) GRIN1GRIN2B
SCHEMBL29882741 0.82 GRIN2B (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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