SCHEMBL22228154

SCHEMBL22228154

Oc1ccc(C(O)CN2C[C@H]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 20/20 0.78
GRIN2B Q13224 20/20 0.78

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
SCHEMBL29883096 1.00 GRIN1 (0.78) GRIN1GRIN2B
SCHEMBL20086380 1.00 GRIN1 (0.78) GRIN1GRIN2B
SCHEMBL24270937 1.00 GRIN1 (0.78) GRIN1GRIN2B
SCHEMBL29882753 0.88 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20086407 0.88 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL17643290 0.88 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL22228157 0.88 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL22228197 0.88 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL26018208 0.88 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL21018681 0.87 GRIN1 (0.61) 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