SCHEMBL7083525

SCHEMBL7083525

C=CCC1C2CC3CC(C2)CC1(c1ccccc1C)C3

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.33
SIGMAR1 Q99720 3/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31

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
SCHEMBL7080253 0.84 HDAC4 (0.32)
SCHEMBL7085592 0.81 HDAC4 (0.31)
SCHEMBL7079652 0.79 P2RX7 (0.32) P2RX7
SCHEMBL7083692 0.75 SIGMAR1 (0.39) P2RX7SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL6684047 0.69 SIGMAR1 (0.33) P2RX7SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL9721521 0.67 HSD11B1 (0.42) P2RX7SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL7082454 0.66
SCHEMBL6551864 0.65 SLC22A2 (0.30) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1939655 0.65 SLC22A2 (0.30) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7079601 0.64 HSP90AA1 (0.33) P2RX7

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