SCHEMBL2709950

SCHEMBL2709950

CCC[C@@H]1COC(=O)N1c1cc(C(=O)NC[C@H](C)O)cc(-c2ccc(C)cn2)c1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 12/20 0.67
P2RX2 Q9UBL9 12/20 0.67

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
SCHEMBL2710088 0.94 P2RX3 (0.77) P2RX3P2RX2
SCHEMBL2711450 0.88 P2RX3 (0.77) P2RX3P2RX2
SCHEMBL310963 0.87 P2RX3 (0.88) P2RX3P2RX2
SCHEMBL310964 0.87 P2RX3 (0.88) P2RX3P2RX2
SCHEMBL311397 0.86 P2RX3 (0.88) P2RX3P2RX2
SCHEMBL311396 0.86 P2RX3 (0.88) P2RX3P2RX2
SCHEMBL13002589 0.85 P2RX3 (0.64) P2RX3P2RX2
SCHEMBL311001 0.83 P2RX3 (0.89) P2RX3P2RX2
SCHEMBL311002 0.83 P2RX3 (0.89) P2RX3P2RX2
SCHEMBL2712186 0.83 P2RX3 (0.63) 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 2 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