SCHEMBL17633404

SCHEMBL17633404

Oc1ccc(C(O)CN2C[C@H]3CC(Oc4ccc(F)c(F)c4)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
SCHEMBL29471123 1.00 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20983467 1.00 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL17633402 1.00 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL17643081 1.00 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20086387 0.90 GRIN1 (0.82) GRIN1GRIN2B
SCHEMBL20086332 0.90 GRIN1 (0.82) GRIN1GRIN2B
SCHEMBL24136508 0.88 GRIN1 (0.78) GRIN1GRIN2B
SCHEMBL20090872 0.88 GRIN1 (0.78) GRIN1GRIN2B
SCHEMBL20090912 0.88 GRIN1 (0.78) GRIN1GRIN2B
SCHEMBL17643269 0.87 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3683207-B1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B CADENT THERAPEUTICS INC (US) 2021-12-29 EP disclosed
EP-3197868-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B Luc Therapeutics, Inc. (US) 2017-08-02 EP disclosed
WO-2016049165-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B MNEMOSYNE PHARMACEUTICALS, INC. (US) 2016-03-31 WO disclosed