SCHEMBL7083692

SCHEMBL7083692

Cc1ccccc1C12CC3CC(CC(C3)C1O)C2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.39
P2RX7 Q99572 3/20 0.39
GRIN2B Q13224 5/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
HSD11B1 P28845 3/20 0.36
CNR2 P34972 2/20 0.35
HSD11B2 P80365 1/20 0.34
HDAC4 P56524 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
SCHEMBL7081986 0.80 P2RX7 (0.39) P2RX7HSD11B1CNR2HSD11B2HDAC4
SCHEMBL7078036 0.80 HDAC4 (0.39) P2RX7HSD11B1CNR2HDAC4
SCHEMBL12760777 0.76 MEN1 (0.35) P2RX7HSD11B1CNR2HSD11B2
SCHEMBL7079060 0.76 HDAC4 (0.38) SIGMAR1HSD11B1HDAC4
SCHEMBL1397784 0.75 HSD11B1 (0.40) SIGMAR1P2RX7GRIN2BGRIN2DGRIN3B
SCHEMBL4607913 0.75 P2RX7 (0.40) P2RX7GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL7083525 0.75 P2RX7 (0.33) SIGMAR1P2RX7GRIN2BGRIN2DGRIN3B
SCHEMBL9721521 0.74 HSD11B1 (0.42) SIGMAR1P2RX7GRIN2BGRIN2DGRIN3B
SCHEMBL6684047 0.74 SIGMAR1 (0.33) SIGMAR1P2RX7GRIN2BGRIN2DGRIN3B
SCHEMBL20693588 0.71 GRIN2B (0.35) SIGMAR1P2RX7GRIN2BGRIN2DGRIN3B

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 disclosed