SCHEMBL6901742

SCHEMBL6901742

COc1ccc(C2(O)C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.57
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
CNR2 P34972 1/20 0.42
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRND Q07001 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 2/20 0.40
P2RX7 Q99572 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL8766773 0.81 HSD11B1 (0.56) HSD11B1MAOBMAOACNR2CHRNA1
SCHEMBL21002189 0.80 KDM1A (0.49) HSD11B1CNR2CHRNA1CHRNGCHRNB1
SCHEMBL30791157 0.80 KDM1A (0.49) HSD11B1CNR2CHRNA1CHRNGCHRNB1
SCHEMBL6899610 0.79 HSD11B1 (0.54) HSD11B1MAOBMAOACHRNA1CHRNG
SCHEMBL18910952 0.79 TSHR (0.47) HSD11B1CNR2LMNA
SCHEMBL18905305 0.78 HSD11B1 (0.40) HSD11B1CNR2LMNA
SCHEMBL23221304 0.78 HSD11B1 (0.53) HSD11B1MAOBMAOACNR2EPHX2
SCHEMBL25611079 0.76 HSD11B1 (0.51) HSD11B1MAOBMAOACNR2CHRNA1
SCHEMBL6934361 0.76 HSD11B1 (0.51) HSD11B1MAOBMAOACNR2P2RX7
SCHEMBL26384419 0.76 HSD11B1 (0.39) HSD11B1CNR2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117185966-B Method for carrying out open-loop sulfonylation on cycloalkanol 安徽金桐精细化学有限公司 2024-09-24 CN disclosed
CN-117185966-A Method for carrying out open-loop sulfonylation on cycloalkanol 安徽金桐精细化学有限公司 2023-12-08 CN disclosed
CN-115806488-A Method for ring-opening allylation of cycloalkanol 南京工业大学 2023-03-17 CN disclosed
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