SCHEMBL7082940

SCHEMBL7082940

O=[N+]([O-])/C=C/CC1(c2ccccc2)C2CC3CC(C2)CC1C3

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.51
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FBP1 P09467 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
SCHEMBL7082944 1.00 HSD11B1 (0.51) HSD11B1MEN1KMT2AFBP1
SCHEMBL7080287 0.86 HSD11B1 (0.52) HSD11B1MEN1KMT2AFBP1
SCHEMBL7079599 0.86 HSD11B1 (0.52) HSD11B1MEN1KMT2AFBP1
SCHEMBL7079650 0.85 FBP1 (0.41) HSD11B1MEN1KMT2AFBP1
SCHEMBL7082452 0.84 HSD11B1 (0.39) HSD11B1MEN1KMT2A
SCHEMBL7079469 0.82 FBP1 (0.44) HSD11B1FBP1
SCHEMBL7083810 0.79 HSD11B1 (0.33) HSD11B1
SCHEMBL7079477 0.74 HSD11B1 (0.57) HSD11B1MEN1KMT2A
SCHEMBL6897711 0.69 HSD11B1 (0.62) HSD11B1MEN1KMT2A
SCHEMBL7813280 0.68 HSD11B1 (1.00) HSD11B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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