SCHEMBL5748710

SCHEMBL5748710

CS(=O)O[C@H]1CCN(c2ccc3c(NC(=O)CC4CCCCC4)c(Cl)ccc3n2)C1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 17/20 0.51
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3843919 0.87 P2RX7 (0.52) P2RX7KCNQ3KCNQ2L3MBTL1
SCHEMBL3841342 0.87 P2RX7 (0.52) P2RX7KCNQ3KCNQ2L3MBTL1
SCHEMBL1804218 0.84 P2RX7 (0.68) P2RX7KCNQ3KCNQ2
SCHEMBL5744327 0.84 P2RX7 (0.68) P2RX7KCNQ3KCNQ2
SCHEMBL1805634 0.84 P2RX7 (0.68) P2RX7KCNQ3KCNQ2
SCHEMBL3837025 0.84 P2RX7 (0.54) P2RX7KCNQ3KCNQ2
SCHEMBL1804098 0.84 P2RX7 (0.54) P2RX7KCNQ3KCNQ2
SCHEMBL3837101 0.83 P2RX7 (0.56) P2RX7KCNQ3KCNQ2
SCHEMBL1804722 0.83 P2RX7 (0.56) P2RX7KCNQ3KCNQ2
SCHEMBL3836983 0.83 P2RX7 (0.50) P2RX7KCNQ3KCNQ2L3MBTL1

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