SCHEMBL7085592

SCHEMBL7085592

C=CCC1C2CC3CC(C2)CC1(c1ccccc1C(F)(F)F)C3

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL7079472 0.81
SCHEMBL7083525 0.81 P2RX7 (0.33)
SCHEMBL7080253 0.79 HDAC4 (0.32) HDAC4
SCHEMBL7079060 0.77 HDAC4 (0.38) HDAC4HSD11B1
SCHEMBL1939655 0.62 SLC22A2 (0.30)
SCHEMBL6551864 0.62 SLC22A2 (0.30)
SCHEMBL7079652 0.62 P2RX7 (0.32)
SCHEMBL7079601 0.62 HSP90AA1 (0.33)
SCHEMBL7082454 0.61
Hydrochloric Acid SCHEMBL11302602 0.61 LMNA (0.41)

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