SCHEMBL7656113

SCHEMBL7656113

O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.70

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
SCHEMBL7571536 0.84 P2RX7 (0.70) P2RX7
SCHEMBL6362496 0.83 P2RX7 (1.00) P2RX7
SCHEMBL7571529 0.82 P2RX7 (1.00) P2RX7
SCHEMBL7568704 0.81 P2RX7 (0.64) P2RX7
SCHEMBL7571526 0.79 P2RX7 (0.70) P2RX7
SCHEMBL2709199 0.79 P2RX7 (0.70) P2RX7
SCHEMBL7655900 0.79 P2RX7 (0.56) P2RX7
SCHEMBL7571956 0.79 P2RX7 (1.00) P2RX7
SCHEMBL7568662 0.77 P2RX7 (0.79) P2RX7
SCHEMBL13753359 0.76 HPGD (0.51)

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
US-6492355-B1 Adamantane derivatives ASTRAZENECA AB (SE) 2002-12-10 US disclosed