SCHEMBL6901003

SCHEMBL6901003

N#CC1(c2ccc(C(F)(F)F)cc2)C2CC3CC(C2)CC1C3

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
KDM1A O60341 1/20 0.41
KIF11 P52732 1/20 0.36
SLC6A3 Q01959 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
HSD11B1 P28845 4/20 0.33
DAO P14920 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
BRCA1 P38398 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3027798 0.81 HSD11B1 (0.50) HSD11B1MEN1KMT2A
SCHEMBL6895201 0.78 HSD11B1 (0.46) MAOAMAOBKDM1AOPRM1HSD11B1
SCHEMBL6680140 0.78 HSD11B1 (0.46) MAOAMAOBSLC6A3OPRM1HSD11B1
SCHEMBL6895186 0.78 HSD11B1 (0.45) OPRM1HSD11B1
SCHEMBL6897241 0.75 MAOA (0.44) MAOAMAOBKDM1ASLC6A3HSD11B1
SCHEMBL6895204 0.74 HSD11B1 (0.50) MAOAMAOBSLC6A3HSD11B1KDM4E
Hydrochloric Acid SCHEMBL6897921 0.70 SLC6A3 (0.46) MAOAMAOBKDM1ASLC6A3HSD11B1
SCHEMBL3719123 0.68 CYP1A2 (0.47) MAOAMAOBKDM1AKIF11SLC6A3
SCHEMBL6893766 0.67 HSD11B1 (0.42) SLC6A3HSD11B1MEN1KMT2A
SCHEMBL626219 0.66 SLC6A3 (0.45) MAOAMAOBKDM1AKIF11SLC6A3

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 4 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
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
WO-2000044371-A1 2-ADAMANTANEMETHANAMINE COMPOUNDS FOR TREATING ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RESEARCH LIMITED (GB) 2000-08-03 WO disclosed