SCHEMBL22228195

SCHEMBL22228195

Oc1ccc(C(O)CN2C[C@H]3C[C@H](Oc4cc(F)cc(F)c4)C[C@H]3C2)nc1

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
SCHEMBL20086410 1.00 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL24136367 1.00 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL17643275 1.00 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL21837222 1.00 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20086388 0.93 GRIN1 (0.87) GRIN1GRIN2B
SCHEMBL20086351 0.93 GRIN1 (0.87) GRIN1GRIN2B
SCHEMBL21837224 0.91 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL17643267 0.91 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL29471135 0.91 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20841786 0.89 GRIN1 (0.80) 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