SCHEMBL5772200

SCHEMBL5772200

O=C(CC1CCCCC1)Nc1c(Cl)ccc2nc(CCC[AsH]CCCO)ccc12

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.65
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 2/20 0.38
ROCK2 O75116 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CSNK1D P48730 1/20 0.36
KCNJ11 Q14654 1/20 0.35

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
SCHEMBL1803938 0.89 P2RX7 (0.73) P2RX7L3MBTL1EPHX2ROCK2NPC1
SCHEMBL1804074 0.85 P2RX7 (0.62) P2RX7L3MBTL1EPHX2ROCK2NPC1
SCHEMBL1805790 0.85 P2RX7 (0.62) P2RX7L3MBTL1EPHX2ROCK2NPC1
SCHEMBL1804656 0.85 P2RX7 (0.61) P2RX7L3MBTL1EPHX2ROCK2NPC1
SCHEMBL3837447 0.84 P2RX7 (0.63) P2RX7L3MBTL1EPHX2ROCK2NPC1
SCHEMBL1807655 0.83 P2RX7 (0.62) P2RX7L3MBTL1EPHX2ROCK2NPC1
SCHEMBL3839473 0.83 P2RX7 (0.59) P2RX7L3MBTL1EPHX2ROCK2NPC1
SCHEMBL3857335 0.82 P2RX7 (0.61) P2RX7L3MBTL1EPHX2ROCK2NPC1
Hydrochloric Acid SCHEMBL3842411 0.82 P2RX7 (0.61) P2RX7L3MBTL1EPHX2ROCK2NPC1
SCHEMBL3836528 0.82 P2RX7 (0.58) P2RX7L3MBTL1EPHX2ROCK2NPC1

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-1633717-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE AstraZeneca AB (SE) 2006-03-15 EP disclosed
WO-2004106305-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2004-12-09 WO disclosed