SCHEMBL6898757

SCHEMBL6898757

CCc1cccc(C2(CN)C3CC4CC(C3)CC2C4)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.43
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
KDM1A O60341 1/20 0.33
KIF11 P52732 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32

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
Hydrochloric Acid SCHEMBL6897736 0.99 HSD11B1 (0.42) HSD11B1HCAR3HCAR2KDM1AKIF11
SCHEMBL6685193 0.82 HTR2C (0.46) HSD11B1MEN1KMT2A
Hydrochloric Acid SCHEMBL6896770 0.81 HTR2C (0.48) HSD11B1MEN1KMT2A
SCHEMBL6899454 0.79 HSD11B1 (0.39) HSD11B1HCAR3HCAR2
SCHEMBL6897711 0.77 HSD11B1 (0.62) HSD11B1MEN1KMT2A
SCHEMBL25799587 0.77 GRIN1 (0.39) HSD11B1MEN1KMT2A
SCHEMBL22733040 0.77 HSD11B1 (0.39) HSD11B1
SCHEMBL25799597 0.76 GRIN1 (0.46) HSD11B1MEN1KMT2A
Hydrochloric Acid SCHEMBL6894594 0.76 HSD11B1 (0.60) HSD11B1MEN1KMT2A
SCHEMBL6891948 0.75 HSD11B1 (0.42) HSD11B1HCAR3HCAR2

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 claimed
US-6531511-B1 N-methyl aspartate receptor antagonist VERNALIS RESEARCH LIMITED (GB) 2003-03-11 US claimed
JP-2002535360-A 2002-10-22 JP claimed
EP-1143964-A1 2-ADAMANTANEMETHANAMINE COMPOUNDS FOR TREATING ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RESEARCH LIMITED (GB) 2001-10-17 EP claimed
WO-2000044371-A1 2-ADAMANTANEMETHANAMINE COMPOUNDS FOR TREATING ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RESEARCH LIMITED (GB) 2000-08-03 WO claimed
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