SCHEMBL2709231

SCHEMBL2709231

CO[C@H](C)CNC(=O)c1cc(-c2ccc(C)cn2)cc(N2C(=O)OC[C@H]2C(C)C)c1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 13/20 0.75
P2RX2 Q9UBL9 13/20 0.75

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
SCHEMBL2711450 0.91 P2RX3 (0.77) P2RX3P2RX2
SCHEMBL310683 0.85 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL310682 0.85 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL310929 0.85 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL310928 0.85 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL310546 0.84 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL310545 0.84 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL310812 0.84 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL310813 0.84 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL2711855 0.82 P2RX3 (0.72) P2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445889-A1 NOVEL OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES F. Hoffmann-La Roche AG (CH) 2012-05-02 EP claimed
WO-2010149541-A1 NOVEL OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-29 WO claimed
EP-2445889-A1 NOVEL OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES F. Hoffmann-La Roche AG (CH) 2012-05-02 EP disclosed
WO-2010149541-A1 NOVEL OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-29 WO disclosed