SCHEMBL7081973

SCHEMBL7081973

COc1ccc(C2(C=O)C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.54
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2A6 P11509 1/20 0.39
BACE1 P56817 4/20 0.39
CTSD P07339 3/20 0.39
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
BACE2 Q9Y5Z0 2/20 0.39
REN P00797 1/20 0.39
EPHX2 P34913 2/20 0.38
P2RX7 Q99572 1/20 0.38
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6682404 0.81 HSD11B1 (0.50) HSD11B1MAOBMAOACYP2A6MEN1
SCHEMBL13216074 0.78 HSD11B1 (0.54) HSD11B1MEN1KMT2A
SCHEMBL8766773 0.78 HSD11B1 (0.56) HSD11B1MAOBMAOACNR2BACE1
SCHEMBL6901742 0.75 HSD11B1 (0.57) HSD11B1MAOBMAOACNR2EPHX2
SCHEMBL25611079 0.72 HSD11B1 (0.51) HSD11B1MAOBMAOACNR2BACE1
SCHEMBL6895204 0.71 HSD11B1 (0.50) HSD11B1MAOBMAOACNR2ALDH1A1
SCHEMBL14175565 0.71 HSD11B1 (0.57) HSD11B1CNR2ALDH1A1BACE1CTSD
Hydrochloric Acid SCHEMBL6898935 0.70 HSD11B1 (0.63) HSD11B1MAOBMAOAALDH1A1BACE1
SCHEMBL13216336 0.70 HSD11B1 (1.00) HSD11B1MEN1KMT2A
SCHEMBL6934361 0.69 HSD11B1 (0.51) HSD11B1MAOBMAOACNR2BACE1

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