SCHEMBL13627730

SCHEMBL13627730

CN1CCC(O)(N2CCCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL27786689 0.93 KMT2A (0.33) NPSR1KMT2AGAAMAPK1
SCHEMBL5154379 0.82 GRIN2D (0.33) GRIN1GRIN2A
SCHEMBL7798993 0.81 NPSR1 (0.43) NPSR1
SCHEMBL908580 0.79 GRIN1 (0.37) GRIN1GRIN2AKMT2A
SCHEMBL7793042 0.79 GRIN1 (0.37) GRIN1GRIN2AKMT2A
SCHEMBL28326008 0.79 GRIN1 (0.37) GRIN1GRIN2AKMT2A
SCHEMBL5959164 0.79 GRIN1 (0.37) GRIN1GRIN2AKMT2A
SCHEMBL7035041 0.79 GRIN1 (0.37) GRIN1GRIN2AKMT2A
SCHEMBL5154283 0.79
SCHEMBL7828829 0.73

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-2009132740-A2 REACTIVE IONIC LIQUIDS MERCK PATENT GMBH, (DE) 2009-11-05 WO disclosed