SCHEMBL6676764

SCHEMBL6676764

C[C@H](O)CNc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1.O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2nc(NCCO)ccc12

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.76
P2RX3 P56373 1/20 0.54

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
SCHEMBL4508034 0.95 P2RX7 (0.72) P2RX7P2RX3
SCHEMBL4513243 0.95 P2RX7 (0.72) P2RX7P2RX3
SCHEMBL6617703 0.95 P2RX7 (0.72) P2RX7P2RX3
SCHEMBL4507991 0.92 P2RX7 (0.89) P2RX7P2RX3
SCHEMBL4497761 0.88 P2RX7 (0.73) P2RX7P2RX3
SCHEMBL4507561 0.87 P2RX7 (0.80) P2RX7P2RX3
SCHEMBL29475619 0.87 P2RX7 (1.00) P2RX7P2RX3
SCHEMBL12891317 0.87 P2RX7 (1.00) P2RX7P2RX3
SCHEMBL4494620 0.87 P2RX7 (0.73) P2RX7P2RX3
SCHEMBL4513258 0.86 P2RX7 (1.00) 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 disclosed
WO-2003080579-A1 NOVEL ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-02 WO disclosed