SCHEMBL22239206

SCHEMBL22239206

N[C@@H](CN1CC2CCCC2C1)c1ccc(N=O)cn1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 10/20 0.34
HRH3 Q9Y5N1 1/20 0.32
GRIN1 Q05586 3/20 0.31

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
SCHEMBL24270906 0.82 GRIN2B (0.36) GRIN2BHRH3GRIN1
SCHEMBL24270955 0.81 GRIN2B (0.50) GRIN2BGRIN1
SCHEMBL22239271 0.78 GRIN2B (0.32) GRIN2BGRIN1
SCHEMBL24270827 0.78 GRIN2B (0.43) GRIN2BHRH3GRIN1
SCHEMBL22239313 0.73 HRH3 (0.39) HRH3
SCHEMBL22239239 0.72 GRIN2B (0.49) GRIN2BGRIN1
SCHEMBL22239305 0.69 GRIN2B (0.30) GRIN2BHRH3
SCHEMBL26020752 0.69 GRIN2B (0.45) GRIN2BGRIN1
SCHEMBL22239315 0.69 GRIN2B (0.45) GRIN2BGRIN1
SCHEMBL26018022 0.67 GRIN2B (0.48) 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