SCHEMBL7079652

SCHEMBL7079652

Cc1ccccc1C12CC3CC(CC(C3)C1CC=C[N+](=O)[O-])C2

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.32

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
SCHEMBL7082454 0.88
SCHEMBL7079601 0.86 HSP90AA1 (0.33) P2RX7
SCHEMBL7079472 0.84
SCHEMBL7083525 0.79 P2RX7 (0.33) P2RX7
SCHEMBL7083692 0.69 SIGMAR1 (0.39) P2RX7
SCHEMBL7080253 0.68 HDAC4 (0.32)
SCHEMBL6684047 0.64 SIGMAR1 (0.33) P2RX7
SCHEMBL7085592 0.62 HDAC4 (0.31)
SCHEMBL9721521 0.61 HSD11B1 (0.42) P2RX7
SCHEMBL20693588 0.59 GRIN2B (0.35) P2RX7

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