SCHEMBL6891948

SCHEMBL6891948

CCc1cccc(C2(C#N)C3CC4CC(C3)CC2C4)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.42
HCAR3 P49019 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
MGLL Q99685 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
LRRK2 Q5S007 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6893766 0.81 HSD11B1 (0.42) HSD11B1HCAR2SMN1; SMN2
SCHEMBL6899454 0.78 HSD11B1 (0.39) HSD11B1HCAR3HCAR2SMN1; SMN2
SCHEMBL21002203 0.77 KMT2A (0.49) HSD11B1SMN1; SMN2
SCHEMBL30791158 0.77 KMT2A (0.49) HSD11B1SMN1; SMN2
SCHEMBL6895186 0.76 HSD11B1 (0.45) HSD11B1
SCHEMBL6898757 0.75 HSD11B1 (0.43) HSD11B1HCAR3HCAR2
Hydrochloric Acid SCHEMBL6897736 0.74 HSD11B1 (0.42) HSD11B1HCAR3HCAR2
SCHEMBL24044974 0.72 OPRM1 (0.46) HCAR3HCAR2
SCHEMBL6376813 0.72 MEN1 (0.46) HSD11B1HCAR3HCAR2
Hydrochloric Acid SCHEMBL6928573 0.71 GRIN2D (0.35) 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