SCHEMBL20548482

SCHEMBL20548482

O=C(CN1CC2CC(Cc3ccccc3)CC2C1)c1ccc(O)c(-n2cccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 17/20 0.72
▸ GRIN1 Q05586 2/20 0.48
▸ ACHE P22303 1/20 0.47

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
SCHEMBL16608160 0.84 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL30076111 0.84 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL16601092 0.84 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL16601041 0.84 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL16608237 0.84 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL16600963 0.81 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL16600964 0.81 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL16600965 0.81 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL20853643 0.76 GRIN2B (0.83) GRIN2BGRIN1
SCHEMBL16608474 0.73 GRIN2B (0.72) GRIN2BGRIN1ACHE

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-3036221-B1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B CADENT THERAPEUTICS INC (US) 2018-11-07 — — EP claimed
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