SCHEMBL13273243

SCHEMBL13273243

COc1cc(NC(=O)N2C=CC(=O)C[C@H]2c2ccc(F)cc2)c(C)cc1C(=O)O

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.84
KDM4E B2RXH2 1/20 0.37
HTR7 P34969 3/20 0.37
PDE5A O76074 1/20 0.36

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
SCHEMBL1099750 0.92 P2RX7 (1.00) P2RX7HTR7
SCHEMBL1099251 0.91 P2RX7 (0.86) P2RX7KDM4EHTR7
SCHEMBL1099254 0.91 P2RX7 (0.86) P2RX7KDM4EHTR7
SCHEMBL1100095 0.87 P2RX7 (0.84) P2RX7HTR7
SCHEMBL1098654 0.87 P2RX7 (0.84) P2RX7HTR7
SCHEMBL1099960 0.86 P2RX7 (0.88) P2RX7HTR7
SCHEMBL1099236 0.85 P2RX7 (1.00) P2RX7
SCHEMBL1098877 0.85 P2RX7 (0.84) P2RX7KDM4E
SCHEMBL1098874 0.85 P2RX7 (0.84) P2RX7KDM4E
SCHEMBL1099968 0.84 P2RX7 (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010072599-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed