SCHEMBL7057791

SCHEMBL7057791

N#CC(C(=O)O)C12CC3CC(CC(C3)C1Cc1ccccc1)C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 2/20 0.38
EPHX2 P34913 2/20 0.38
P2RX7 Q99572 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD11B1 P28845 5/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
FAAH O00519 2/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL6682813 0.71 P2RX7 (0.36) HPGDMAPK1EPHX2P2RX7TSHR
SCHEMBL7057795 0.69 HSD11B1 (0.51) LMNAHPGDMAPK1EPHX2P2RX7
SCHEMBL14570637 0.68 DPP4 (0.36) HSD11B1
SCHEMBL14267061 0.67 HPGD (0.42) HPGDMAPK1EPHX2P2RX7HTT
SCHEMBL14267070 0.66 HPGD (0.41) HPGDMAPK1EPHX2P2RX7HSD17B10
SCHEMBL6684554 0.64 GRIN2D (0.37) HPGDMAPK1EPHX2P2RX7TSHR
SCHEMBL3152561 0.63 DPP4 (0.35) HPGDEPHX2KDM4EALDH1A1
SCHEMBL3155476 0.63 DPP4 (0.36) HPGDHSD11B1ALDH1A1
Hydrochloric Acid SCHEMBL6682911 0.63 OPRK1 (0.38) HPGDMAPK1EPHX2P2RX7HTT
SCHEMBL2845610 0.62 CYP19A1 (0.49) EPHX2P2RX7HTTMEN1KMT2A

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-1305306-A2 2-ADAMANTYLETHYLAMINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RESEARCH LIMITED (GB) 2003-05-02 EP disclosed
WO-2002008219-A2 2-ADAMANTYLETHYLAMINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RESEARCH LIMITED (GB) 2002-01-31 WO disclosed