Sugi Predict

Sugi Predict / Compounds / SCHEMBL1805944

SCHEMBL1805944

SCHEMBL1805944

CNCCC(C)Nc1ccc2c(NC(=O)C3(C4CCCCC4)CC3)c(Cl)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 10/20 0.45

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
SCHEMBL1804726 0.84 P2RX7 (0.53) P2RX7
SCHEMBL1803930 0.84 P2RX7 (0.64) P2RX7
SCHEMBL3837175 0.79 P2RX7 (0.44) P2RX7
SCHEMBL3837829 0.79 P2RX7 (0.45) P2RX7
Hydrochloric Acid SCHEMBL3841325 0.78 P2RX7 (0.43) P2RX7
SCHEMBL5769121 0.75 P2RX7 (0.56) P2RX7
SCHEMBL1805363 0.71 P2RX7 (0.54) P2RX7
SCHEMBL5807023 0.70 P2RX7 (0.67) P2RX7
SCHEMBL5746004 0.70 P2RX7 (0.67) P2RX7
SCHEMBL6617080 0.68 P2RX7 (0.55) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4682128-B2 — — 2011-05-11 — — JP claimed
EP-1633717-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE AstraZeneca AB (SE) 2006-03-15 — — EP claimed
WO-2004106305-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2004-12-09 — — WO claimed
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