SCHEMBL22239255

SCHEMBL22239255

CCc1ccc(OC2CC3CN(CC(=O)c4ccc(N=O)cc4)CC3C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 20/20 0.62
GRIN2B Q13224 20/20 0.62

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
SCHEMBL24136406 0.89 GRIN1 (0.78) GRIN1GRIN2B
SCHEMBL17633234 0.77 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20090996 0.77 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20086348 0.77 GRIN1 (0.83) GRIN1GRIN2B
SCHEMBL24136373 0.77 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL17633233 0.77 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20086391 0.77 GRIN1 (0.83) GRIN1GRIN2B
SCHEMBL17633401 0.77 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL24136375 0.74 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20983486 0.74 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 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