SCHEMBL6898977

SCHEMBL6898977

Cc1cccc(C2(O)C3CC4CC(C3)CC2C4)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.43
CHRNG P07510 1/20 0.43
CHRNB1 P11230 1/20 0.43
CHRNB2 P17787 1/20 0.43
SLC6A2 P23975 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CHRND Q07001 1/20 0.43
HSD11B1 P28845 6/20 0.40
HTR2C P28335 2/20 0.39
HDAC4 P56524 1/20 0.39
HTR2A P28223 1/20 0.39
EPHX2 P34913 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
CCR2 P41597 1/20 0.38

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
SCHEMBL18911102 0.80 HSD11B1 (0.43) SLC6A3HSD11B1MEN1KMT2ALMNA
SCHEMBL18905253 0.79 HSD11B1 (0.38) HSD11B1
SCHEMBL23620372 0.79 HSD11B1 (0.58) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL21002189 0.79 KDM1A (0.49) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL6899454 0.79 HSD11B1 (0.39) HSD11B1SMN1; SMN2
SCHEMBL30791157 0.79 KDM1A (0.49) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL6899610 0.78 HSD11B1 (0.54) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL6896759 0.77 HSD11B1 (0.53) HSD11B1MEN1KMT2A
SCHEMBL18910979 0.76 ALOX5AP (0.34) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL6893766 0.76 HSD11B1 (0.42) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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