SCHEMBL7091493

SCHEMBL7091493

O=CCC12CC3CC(CC(C3)C1)C2.OCCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.42
GRIN3B O60391 4/20 0.42
GRIN1 Q05586 4/20 0.42
GRIN2A Q12879 4/20 0.42
GRIN2B Q13224 4/20 0.42
GRIN2C Q14957 4/20 0.42
GRIN3A Q8TCU5 4/20 0.42
EPHX2 P34913 7/20 0.40
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HTT P42858 1/20 0.34

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
Formic Acid SCHEMBL28542970 0.86 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL159995 0.85 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL237474 0.83 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Acrylic Acid SCHEMBL11261124 0.76 EPHX2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7524766 0.74 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23539449 0.73
SCHEMBL1758647 0.73 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1758688 0.72 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL602384 0.70 GAA (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24728057 0.70 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed