SCHEMBL17643269

SCHEMBL17643269

Oc1ccc([C@@H](O)CN2C[C@H]3C[C@@H](Oc4ccc(F)cc4)C[C@H]3C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 20/20 1.00
GRIN2B Q13224 20/20 1.00

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
SCHEMBL20086413 1.00 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20086433 1.00 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL24136400 1.00 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL17643321 0.88 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL17633371 0.88 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20086350 0.88 GRIN1 (0.83) GRIN1GRIN2B
SCHEMBL17633373 0.88 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL17633374 0.88 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL24136474 0.88 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20086356 0.88 GRIN2B (1.00) GRIN1GRIN2B

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
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