SCHEMBL6899454

SCHEMBL6899454

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.39
HCAR3 P49019 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
PDK2 Q15119 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
SCHEMBL7078035 0.80 HSD11B1 (0.40) HSD11B1SLC5A1SLC5A2
SCHEMBL6898757 0.79 HSD11B1 (0.43) HSD11B1HCAR3HCAR2
SCHEMBL6898977 0.79 CHRNA1 (0.43) HSD11B1SMN1; SMN2
SCHEMBL6891948 0.78 HSD11B1 (0.42) HSD11B1HCAR3HCAR2SMN1; SMN2
Hydrochloric Acid SCHEMBL6897736 0.78 HSD11B1 (0.42) HSD11B1HCAR3HCAR2
Hydrochloric Acid SCHEMBL6928573 0.77 GRIN2D (0.35) HSD11B1HCAR3HCAR2
SCHEMBL17812492 0.77 HDAC4 (0.42) HSD11B1
SCHEMBL23620372 0.76 HSD11B1 (0.58) HSD11B1SMN1; SMN2
SCHEMBL18905253 0.76 HSD11B1 (0.38) HSD11B1
SCHEMBL6376813 0.76 MEN1 (0.46) 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 8 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
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