SCHEMBL17643307

SCHEMBL17643307

O=C(CN1C[C@H]2CCC[C@H]2C1)c1ccc(O)cn1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 20/20 0.69
GRIN1 Q05586 10/20 0.63

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
SCHEMBL17643287 1.00 GRIN2B (0.69) GRIN2BGRIN1
SCHEMBL21018679 1.00 GRIN2B (0.69) GRIN2BGRIN1
SCHEMBL20090873 1.00 GRIN2B (0.69) GRIN2BGRIN1
SCHEMBL24866116 0.86 GRIN2B (0.67) GRIN2BGRIN1
SCHEMBL24270947 0.86 GRIN2B (0.52) GRIN2BGRIN1
SCHEMBL18629529 0.85 GRIN2B (0.67) GRIN2BGRIN1
SCHEMBL22239239 0.82 GRIN2B (0.49) GRIN2BGRIN1
SCHEMBL16608502 0.82 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL16601069 0.82 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL16601446 0.80 GRIN2B (1.00) 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 3 patents. 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
EP-3683207-B1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B CADENT THERAPEUTICS INC (US) 2021-12-29 EP disclosed
WO-2016049165-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B MNEMOSYNE PHARMACEUTICALS, INC. (US) 2016-03-31 WO disclosed