SCHEMBL5773574

SCHEMBL5773574

O=C(O)CNC1CCN(c2ccc3c(NC(=O)CC4CCCCC4)c(Cl)ccc3n2)C1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.53
OGFRL1 Q5TC84 1/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40

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
SCHEMBL1805890 1.00 P2RX7 (0.53) P2RX7OGFRL1KCNQ3KCNQ2
SCHEMBL1807800 0.92 P2RX7 (0.54) P2RX7KCNQ3KCNQ2
SCHEMBL1802618 0.90 P2RX7 (0.59) P2RX7KCNQ3KCNQ2
SCHEMBL1802169 0.90 P2RX7 (0.59) P2RX7KCNQ3KCNQ2
SCHEMBL29394286 0.90 P2RX7 (0.59) P2RX7KCNQ3KCNQ2
SCHEMBL3843926 0.89 P2RX7 (0.48) P2RX7KCNQ3KCNQ2
SCHEMBL1804098 0.89 P2RX7 (0.54) P2RX7KCNQ3KCNQ2
SCHEMBL3837025 0.89 P2RX7 (0.54) P2RX7KCNQ3KCNQ2
SCHEMBL3837713 0.88 P2RX7 (0.51) P2RX7KCNQ3KCNQ2
SCHEMBL5744327 0.86 P2RX7 (0.68) P2RX7KCNQ3KCNQ2

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