SCHEMBL22239272

SCHEMBL22239272

N[C@]12CCC[C@H]1CN(C[C@H](O)c1ccc(N=O)cc1)C2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
GRIN2B Q13224 14/20 0.34
SLC18A3 Q16572 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GRIN1 Q05586 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
SCHEMBL24270860 0.86
SCHEMBL24136411 0.86 GRIN2B (0.46) GRIN2BGRIN1
SCHEMBL24270948 0.82 GRIN2B (0.48) GRIN2BGRIN1
SCHEMBL24270944 0.75
SCHEMBL26020752 0.74 GRIN2B (0.45) KDM4EGRIN2BGRIN1
SCHEMBL22239315 0.74 GRIN2B (0.45) KDM4EGRIN2BGRIN1
SCHEMBL24136404 0.73 GRIN2B (0.37) GRIN2BGRIN1
SCHEMBL24270900 0.68 GRIN2B (0.51) GRIN2BGRIN1
SCHEMBL22239234 0.65
SCHEMBL22239312 0.64 OPRD1 (0.31) 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