SCHEMBL22239240

SCHEMBL22239240

O=Nc1ccc(C(=O)CN2CC3CCCCC3C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 20/20 0.50
GRIN1 Q05586 8/20 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
SCHEMBL22239247 0.97 GRIN2B (0.47) GRIN2BGRIN1
SCHEMBL22239248 0.81 GRIN2B (0.48) GRIN2BGRIN1
SCHEMBL26019872 0.80 GRIN2B (0.64) GRIN2BGRIN1
SCHEMBL20090988 0.80 GRIN2B (0.64) GRIN2BGRIN1
SCHEMBL17643312 0.80 GRIN2B (0.64) GRIN2BGRIN1
SCHEMBL24270774 0.79 HRH3 (0.36) GRIN2B
SCHEMBL24270959 0.79 MEN1 (0.56) GRIN2BGRIN1
SCHEMBL22239239 0.78 GRIN2B (0.49) GRIN2BGRIN1
SCHEMBL24270872 0.75 HTR7 (0.36)
SCHEMBL24136406 0.74 GRIN1 (0.78) 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-3683207-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B Cadent Therapeutics, Inc. (US) 2020-07-22 EP disclosed