SCHEMBL4039802

SCHEMBL4039802

O=C(NCC12CCCC(CCC1)C2)c1cc(CCCNCCCO)ncc1Cl.[CH2]

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.58
CNR2 P34972 2/20 0.37

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
SCHEMBL5821316 0.96 P2RX7 (0.54) P2RX7CNR2
SCHEMBL5433736 0.88 P2RX7 (0.51) P2RX7
SCHEMBL5138454 0.88 P2RX7 (0.51) P2RX7
SCHEMBL5074755 0.88 P2RX7 (0.73) P2RX7
Hydrochloric Acid SCHEMBL5710669 0.87 P2RX7 (0.72) P2RX7
SCHEMBL5076164 0.84 P2RX7 (0.69) P2RX7
SCHEMBL7082054 0.84 P2RX7 (0.78) P2RX7
Hydrochloric Acid SCHEMBL5710707 0.83 P2RX7 (0.68) P2RX7
SCHEMBL5710639 0.83 P2RX7 (0.68) P2RX7
Hydrochloric Acid SCHEMBL5710527 0.83 P2RX7 (0.67) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007505900-A 2007-03-15 JP claimed
WO-2006083214-A1 PHARMACEUTICAL COMPOSITION COMPRISING A P2X7 RECEPTOR ANTAGONIST AND A HMG-COA REDUCTASE INHIBITOR ASTRAZENECA AB (SE) 2006-08-10 WO claimed
EP-1663224-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7 RECEPTOR ANTAGONIST AND A NONSTEROIDAL ANTI INFLAMMATORY DRUG AstraZeneca AB (SE) 2006-06-07 EP claimed
WO-2005025571-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7 RECEPTOR ANTAGONIST AND A NONSTEROIDAL ANTI INFLAMMATORY DRUG. ASTRAZENECA AB (SE) 2005-03-24 WO claimed
WO-2009019503-A2 P2X7 ANTAGONISTS FOR USE IN THE TREATMENT OF MOOD DISORDERS ASTRAZENECA AB (SE) 2009-02-12 WO disclosed
EP-1644042-A1 A PHARMACEUTICAL COMPOSITION CONTAINING A P2X7 RECEPTOR ANTAGONIST AND METHOTREXATE AstraZeneca AB (SE) 2006-04-12 EP disclosed
EP-1633401-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7-RECEPTOR ANTAGONIST AND A TUMOUR NECROSIS FACTOR ALPHA AstraZeneca AB (SE) 2006-03-15 EP disclosed
WO-2004105796-A1 A PHARMACEUTICAL COMPOSITION CONTAINING A P2X7 RECEPTOR ANTAGONIST AND METHOTREXATE ASTRAZENECA AB (SE) 2004-12-09 WO disclosed
WO-2004105798-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7-RECEPTOR ANTAGONIST AND A TUMOUR NECROSIS FACTOR α ASTRAZENECA AB (SE) 2004-12-09 WO disclosed