SCHEMBL6616754

SCHEMBL6616754

O=C(O)CCNc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.80
P2RX3 P56373 1/20 0.58

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
SCHEMBL4510913 0.91 P2RX7 (0.83) P2RX7P2RX3
SCHEMBL4507991 0.91 P2RX7 (0.89) P2RX7P2RX3
SCHEMBL4508277 0.91 P2RX7 (0.75) P2RX7P2RX3
SCHEMBL6495259 0.90 P2RX7 (0.80) P2RX7P2RX3
SCHEMBL4506613 0.90 P2RX7 (0.80) P2RX7P2RX3
SCHEMBL4496493 0.90 P2RX7 (0.80) P2RX7P2RX3
SCHEMBL4513258 0.89 P2RX7 (1.00) P2RX7P2RX3
SCHEMBL4503968 0.88 P2RX7 (0.94) P2RX7P2RX3
SCHEMBL4508048 0.88 P2RX7 (0.84) P2RX7P2RX3
SCHEMBL4505106 0.87 P2RX7 (0.76) P2RX7P2RX3

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-1490341-A1 NOVEL ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2004-12-29 EP claimed
WO-2003080579-A1 NOVEL ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-02 WO claimed