SCHEMBL6895204

SCHEMBL6895204

COc1ccc(C2(C#N)C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.50
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
SLC6A4 P31645 2/20 0.38
GAA P10253 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
P2RX7 Q99572 1/20 0.36
CNR2 P34972 1/20 0.36
CTSD P07339 3/20 0.36
BACE1 P56817 3/20 0.36
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
BACE2 Q9Y5Z0 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
REN P00797 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
SCHEMBL21002203 0.82 KMT2A (0.49) HSD11B1ALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL30791158 0.82 KMT2A (0.49) HSD11B1ALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL6680140 0.81 HSD11B1 (0.46) HSD11B1MAOBMAOAALDH1A1SLC6A4
SCHEMBL8766773 0.81 HSD11B1 (0.56) HSD11B1MAOBMAOASLC6A4P2RX7
SCHEMBL3027798 0.78 HSD11B1 (0.50) HSD11B1
SCHEMBL6895201 0.78 HSD11B1 (0.46) HSD11B1MAOBMAOAALDH1A1LMNA
SCHEMBL6895186 0.78 HSD11B1 (0.45) HSD11B1
SCHEMBL25611079 0.75 HSD11B1 (0.51) HSD11B1MAOBMAOAGAACNR2
SCHEMBL6901742 0.75 HSD11B1 (0.57) HSD11B1MAOBMAOASLC6A4SLC6A3
SCHEMBL6901003 0.74 MAOA (0.41) HSD11B1MAOBMAOAALDH1A1SLC6A3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143964-B1 2-ADAMANTANEMETHANAMINE COMPOUNDS FOR TREATING ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RES LTD (GB) 2004-03-24 EP disclosed
EP-1051392-B1 ADAMANTANECARBOXIMIDAMIDE DERIVATIVES AND THEIR USE AS NMDA ANTAGONISTS VERNALIS RES LTD (GB) 2003-12-17 EP disclosed
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
US-6531511-B1 N-methyl aspartate receptor antagonist VERNALIS RESEARCH LIMITED (GB) 2003-03-11 US disclosed
EP-1143964-A1 2-ADAMANTANEMETHANAMINE COMPOUNDS FOR TREATING ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RESEARCH LIMITED (GB) 2001-10-17 EP disclosed
US-6262106-B1 Adamantanecarboximidamide derivatives and their use as NMDA antagonists VERNALIS RESEARCH LIMITED (GB) 2001-07-17 US disclosed
EP-1051392-A1 ADAMANTANECARBOXIMIDAMIDE DERIVATIVES AND THEIR USE AS NMDA ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2000-11-15 EP disclosed
WO-2000044371-A1 2-ADAMANTANEMETHANAMINE COMPOUNDS FOR TREATING ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RESEARCH LIMITED (GB) 2000-08-03 WO disclosed
WO-1999038841-A1 ADAMANTANECARBOXIMIDAMIDE DERIVATIVES AND THEIR USE AS NMDA ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 1999-08-05 WO disclosed