SCHEMBL26020752

SCHEMBL26020752

O=Nc1ccc(C(O)CN2C[C@H]3CCC[C@H]3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 19/20 0.45
GRIN1 Q05586 6/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL22239315 1.00 GRIN2B (0.45) GRIN2BGRIN1KDM4E
SCHEMBL22239305 0.83 GRIN2B (0.30) GRIN2B
SCHEMBL22239314 0.82 GRIN2B (0.63) GRIN2BGRIN1
SCHEMBL24136379 0.82 GRIN2B (0.63) GRIN2BGRIN1
SCHEMBL21864488 0.80 GRIN2B (0.62) GRIN2BGRIN1KDM4E
SCHEMBL24270883 0.80 GRIN2B (0.43) GRIN2BGRIN1
SCHEMBL22239272 0.74 KDM4E (0.35) GRIN2BGRIN1KDM4E
SCHEMBL22239247 0.72 GRIN2B (0.47) GRIN2BGRIN1
SCHEMBL24136357 0.72 GRIN2B (0.68) GRIN2BGRIN1
SCHEMBL26019399 0.72 GRIN2B (0.68) GRIN2BGRIN1

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-3974420-B1 N-ALKYLARYL-5-OXYHETEROARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B NOVARTIS AG (CH) 2023-08-16 EP disclosed