SCHEMBL7081839

SCHEMBL7081839

NCCCC1(CCN)C2CC3CC(C2)CC1C3

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.48
GRIN3B O60391 4/20 0.48
GRIN1 Q05586 4/20 0.48
GRIN2A Q12879 4/20 0.48
GRIN2B Q13224 4/20 0.48
GRIN2C Q14957 4/20 0.48
GRIN3A Q8TCU5 4/20 0.48
HSD11B1 P28845 1/20 0.30

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
SCHEMBL7083377 0.83 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6900150 0.69 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6686528 0.69 HSD11B1 (0.60) HSD11B1
SCHEMBL6680294 0.68 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6682912 0.67 HSD11B1 (0.59) HSD11B1
Hydrochloric Acid SCHEMBL5680322 0.67 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6685424 0.67 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1758707 0.65 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL1758966 0.64 GRIN2D (0.95) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5826888 0.63 GRIN2D (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003064372-A1 2-ADAMANTYLALKYLAMINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RESEARCH LIMITED (GB) 2003-08-07 WO claimed