SCHEMBL7079477

SCHEMBL7079477

C=CCC1(c2ccccc2)C2CC3CC(C2)CC1C3

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.57
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7082909 0.83 HSD11B1 (0.57) HSD11B1MEN1KMT2ALMNA
SCHEMBL7083524 0.83 HSD11B1 (0.57) HSD11B1MEN1KMT2A
SCHEMBL7083527 0.82 HSD11B1 (0.42) HSD11B1MEN1KMT2ALMNA
SCHEMBL7080251 0.81 HSD11B1 (0.41) HSD11B1MEN1KMT2A
SCHEMBL7085591 0.78 KDM1A (0.43) HSD11B1
SCHEMBL6897711 0.77 HSD11B1 (0.62) HSD11B1MEN1KMT2A
Hydrochloric Acid SCHEMBL6894594 0.75 HSD11B1 (0.60) HSD11B1MEN1KMT2A
SCHEMBL7082940 0.74 HSD11B1 (0.51) HSD11B1MEN1KMT2A
SCHEMBL7082944 0.74 HSD11B1 (0.51) HSD11B1MEN1KMT2A
SCHEMBL6680933 0.74 HSD11B1 (0.58) 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