SCHEMBL6891957

SCHEMBL6891957

OC1(c2ccc(Cl)cc2)C2CC3CC(C2)CC1C3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.54
ALDH1A1 P00352 1/20 0.46
DRD2 P14416 1/20 0.40
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
KDM1A O60341 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC18A3 Q16572 1/20 0.37
EPHX2 P34913 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL6899610 0.80 HSD11B1 (0.54) HSD11B1MAOAMAOBMEN1KMT2A
SCHEMBL18905254 0.80 HSD11B1 (0.39) HSD11B1ALDH1A1MEN1KMT2ALMNA
SCHEMBL3024025 0.80 HSD11B1 (0.59) HSD11B1MEN1KMT2A
SCHEMBL6896759 0.79 HSD11B1 (0.53) HSD11B1MEN1KMT2A
SCHEMBL23620372 0.78 HSD11B1 (0.58) HSD11B1SMN1; SMN2CHRNA1CHRNGCHRNB1
SCHEMBL7078035 0.76 HSD11B1 (0.40) HSD11B1MEN1KMT2A
SCHEMBL6897241 0.76 MAOA (0.44) HSD11B1MAOAMAOBKDM1ASLC6A4
SCHEMBL6901742 0.76 HSD11B1 (0.57) HSD11B1MAOAMAOBLMNASMN1; SMN2
SCHEMBL16687335 0.76 ALDH1A1 (0.39) HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL23627502 0.73 PDK2 (0.42) HSD11B1ALDH1A1P2RX7

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 disclosed
EP-1051392-B1 ADAMANTANECARBOXIMIDAMIDE DERIVATIVES AND THEIR USE AS NMDA ANTAGONISTS VERNALIS RES LTD (GB) 2003-12-17 EP disclosed
WO-2003064372-A1 2-ADAMANTYLALKYLAMINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RESEARCH LIMITED (GB) 2003-08-07 WO 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