SCHEMBL5435569

SCHEMBL5435569

O=C(NC[C]1CCCCCCC1)c1cc([S+]([O-])C2CCNCC2)ccc1Cl.[CH2].[CH2]

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM1 P11229 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
DPP4 P27487 1/20 0.34
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34

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
SCHEMBL6049711 0.79 P2RX7 (0.53) P2RX7
SCHEMBL7600625 0.78 MEN1 (0.48) P2RX7MEN1KMT2ACHRM1SMN1; SMN2
Hydrochloric Acid SCHEMBL5960226 0.78 P2RX7 (0.52) P2RX7
SCHEMBL5080702 0.78 P2RX7 (0.67) P2RX7
SCHEMBL7555457 0.78 P2RX7 (0.47) P2RX7MEN1KMT2ACHRM1CA1
SCHEMBL5398913 0.77 P2RX7 (0.63) P2RX7MEN1KMT2ACHRM1SMN1; SMN2
SCHEMBL7552675 0.76 P2RX7 (0.41) P2RX7MEN1KMT2ACHRM1
SCHEMBL7603269 0.76 P2RX7 (0.45) P2RX7MEN1KMT2ACHRM1SMN1; SMN2
SCHEMBL8081000 0.75 CA1 (0.55) P2RX7MEN1KMT2ALMNATP53
SCHEMBL7559952 0.74 P2RX7 (0.61) P2RX7MEN1KMT2ASMN1; SMN2LMNA

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007505900-A 2007-03-15 JP claimed
JP-2007501270-A 2007-01-25 JP 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
EP-1644042-A1 A PHARMACEUTICAL COMPOSITION CONTAINING A P2X7 RECEPTOR ANTAGONIST AND METHOTREXATE AstraZeneca AB (SE) 2006-04-12 EP claimed
EP-1644041-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7 ANTAGONIST AND SULFASALAZINE AstraZeneca AB (SE) 2006-04-12 EP claimed
EP-1633401-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7-RECEPTOR ANTAGONIST AND A TUMOUR NECROSIS FACTOR ALPHA AstraZeneca AB (SE) 2006-03-15 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-2004105796-A1 A PHARMACEUTICAL COMPOSITION CONTAINING A P2X7 RECEPTOR ANTAGONIST AND METHOTREXATE ASTRAZENECA AB (SE) 2004-12-09 WO claimed
WO-2004105797-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7 ANTAGONIST AND SULFASALAZINE ASTRAZENECA AB (SE) 2004-12-09 WO claimed
WO-2004105798-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7-RECEPTOR ANTAGONIST AND A TUMOUR NECROSIS FACTOR α ASTRAZENECA AB (SE) 2004-12-09 WO claimed
EP-3402469-A1 P2X7 RECEPTOR ANTAGONISTS FOR RESTORING T-CELL LYMPHOPOIESIS IN SUBJECTS INFECTED WITH HUMAN IMMUNODEFICIENCY VIRUS (HIV) Institut National de la Sante et de la Recherche Medicale (INSERM) (FR) 2018-11-21 EP disclosed
WO-2017121840-A1 P2X7 RECEPTOR ANTAGONISTS FOR RESTORING T-CELL LYMPHOPOIESIS IN SUBJECTS INFECTED WITH HUMAN IMMUNODEFICIENCY VIRUS (HIV) INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-07-20 WO disclosed
EP-1663224-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7 RECEPTOR ANTAGONIST AND A NONSTEROIDAL ANTI INFLAMMATORY DRUG AstraZeneca AB (SE) 2006-06-07 EP disclosed
EP-1644042-A1 A PHARMACEUTICAL COMPOSITION CONTAINING A P2X7 RECEPTOR ANTAGONIST AND METHOTREXATE AstraZeneca AB (SE) 2006-04-12 EP disclosed
EP-1644041-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7 ANTAGONIST AND SULFASALAZINE 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-2005025571-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7 RECEPTOR ANTAGONIST AND A NONSTEROIDAL ANTI INFLAMMATORY DRUG. ASTRAZENECA AB (SE) 2005-03-24 WO disclosed
WO-2004105796-A1 A PHARMACEUTICAL COMPOSITION CONTAINING A P2X7 RECEPTOR ANTAGONIST AND METHOTREXATE ASTRAZENECA AB (SE) 2004-12-09 WO disclosed
WO-2004105797-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7 ANTAGONIST AND SULFASALAZINE 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