SCHEMBL22239305

SCHEMBL22239305

O=Nc1ccc(C(CN2CC3CCCC3C2)N=O)cc1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL26018775 0.86 GRIN2B (0.43) GRIN2B
SCHEMBL26020752 0.83 GRIN2B (0.45) GRIN2B
SCHEMBL22239315 0.83 GRIN2B (0.45) GRIN2B
SCHEMBL24270883 0.80 GRIN2B (0.43) GRIN2BHRH3
SCHEMBL22239231 0.72 L3MBTL3 (0.38) HRH3
SCHEMBL24270889 0.71
SCHEMBL22239247 0.70 GRIN2B (0.47) GRIN2BHRH3
SCHEMBL22239206 0.69 GRIN2B (0.34) GRIN2BHRH3
SCHEMBL24270774 0.67 HRH3 (0.36) GRIN2BHRH3
SCHEMBL22239240 0.67 GRIN2B (0.50) GRIN2B

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