SCHEMBL22239303

SCHEMBL22239303

Oc1ccc(C(O)CN2CC3CCCC3C2)nc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 20/20 0.67
GRIN1 Q05586 8/20 0.62

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
SCHEMBL24136364 1.00 GRIN2B (0.67) GRIN2BGRIN1
SCHEMBL29346469 1.00 GRIN2B (0.67) GRIN2BGRIN1
SCHEMBL24136363 0.85 GRIN2B (0.50) GRIN2BGRIN1
SCHEMBL20090887 0.85 GRIN2B (0.50) GRIN2BGRIN1
SCHEMBL24270955 0.85 GRIN2B (0.50) GRIN2BGRIN1
SCHEMBL24136421 0.85 GRIN2B (0.50) GRIN2BGRIN1
SCHEMBL24136420 0.85 GRIN2B (0.50) GRIN2BGRIN1
SCHEMBL24136467 0.84 ESR1 (0.51) GRIN2BGRIN1
SCHEMBL24136464 0.84 ESR1 (0.51) GRIN2BGRIN1
SCHEMBL16600915 0.81 GRIN2B (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024150146-A1 ENGINEERED KETOREDUCTASE POLYPEPTIDES NOVARTIS AG (CH) 2024-07-18 WO disclosed
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
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