SCHEMBL6895201

SCHEMBL6895201

N#CC1(c2ccc(Cl)cc2)C2CC3CC(C2)CC1C3

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.46
ALDH1A1 P00352 1/20 0.40
OPRM1 P35372 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
KDM1A O60341 1/20 0.35
MAPT P10636 1/20 0.32
EPHX2 P34913 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
SCHEMBL3027798 0.82 HSD11B1 (0.50) HSD11B1KMT2AMEN1
SCHEMBL6680140 0.82 HSD11B1 (0.46) HSD11B1ALDH1A1OPRM1KMT2AMEN1
SCHEMBL6895186 0.81 HSD11B1 (0.45) HSD11B1OPRM1
SCHEMBL6901003 0.78 MAOA (0.41) HSD11B1ALDH1A1OPRM1KMT2AMEN1
SCHEMBL6895204 0.78 HSD11B1 (0.50) HSD11B1ALDH1A1LMNAMAOAMAOB
SCHEMBL6891957 0.72 HSD11B1 (0.54) HSD11B1ALDH1A1KMT2AMEN1LMNA
SCHEMBL6893766 0.70 HSD11B1 (0.42) HSD11B1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL21002203 0.67 KMT2A (0.49) HSD11B1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL30791158 0.67 KMT2A (0.49) HSD11B1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6891948 0.67 HSD11B1 (0.42) HSD11B1SMN1; SMN2

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