SCHEMBL5336494

SCHEMBL5336494

O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CCO)ccc1Cl

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.78

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
SCHEMBL4129123 0.93 P2RX7 (0.86) P2RX7
SCHEMBL4129972 0.89 P2RX7 (0.74) P2RX7
SCHEMBL4129949 0.88 P2RX7 (0.69) P2RX7
Azd9056 SCHEMBL29364060 0.88 P2RX7 (1.00) P2RX7
Azd9056 SCHEMBL4126642 0.88 P2RX7 (1.00) P2RX7
SCHEMBL4122056 0.88 P2RX7 (0.92) P2RX7
SCHEMBL4129931 0.87 P2RX7 (0.71) P2RX7
SCHEMBL4129203 0.87 P2RX7 (0.71) P2RX7
SCHEMBL4134555 0.87 P2RX7 (0.74) P2RX7
SCHEMBL4138789 0.87 P2RX7 (0.94) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1862451-A1 Adamantane derivatives for the treatment of inflammatory diseases AstraZeneca AB (SE) 2007-12-05 EP claimed
EP-1352896-A2 Adamantane derivatives for the treatment of inflammatory, immune and cardiovascular diseases AstraZeneca AB (SE) 2003-10-15 EP claimed
US-6492355-B1 Adamantane derivatives ASTRAZENECA AB (SE) 2002-12-10 US disclosed
EP-1171432-A1 ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2002-01-16 EP disclosed
WO-2000061569-A1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2000-10-19 WO disclosed