SCHEMBL5216631

SCHEMBL5216631

CS(=O)(=O)Nc1cccc(-c2ccc(Cl)c(C(=O)NCC34CCCC(CCC3)C4)c2)n1.[CH2]

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.47

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
SCHEMBL4885962 0.89 P2RX7 (0.56) P2RX7
SCHEMBL4877307 0.78 P2RX7 (0.55) P2RX7
SCHEMBL5220204 0.75 P2RX7 (0.46) P2RX7
SCHEMBL7517360 0.74 P2RX7 (0.72) P2RX7
SCHEMBL4880898 0.74 P2RX7 (0.64) P2RX7
SCHEMBL8080956 0.74 P2RX7 (0.54) P2RX7
SCHEMBL4877005 0.73 P2RX7 (0.67) P2RX7
SCHEMBL6497265 0.73 P2RX7 (0.56) P2RX7
SCHEMBL7690936 0.73 P2RX7 (0.73) P2RX7
SCHEMBL8080894 0.73 P2RX7 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786786-A1 ADAMANTYL DERIVATES AS P2X7 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2007-05-23 EP claimed
WO-2006025783-A1 ADAMANTYL DERIVATES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-03-09 WO claimed