SCHEMBL3781920

SCHEMBL3781920

COc1cn(-c2cc3c(cc2F)OC(F)(F)C(F)(F)O3)nc(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.42
PDE10A Q9Y233 11/20 0.39

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
SCHEMBL519208 0.87 P2RX7 (0.40) P2RX7PDE10A
SCHEMBL519137 0.87 P2RX7 (0.40) P2RX7PDE10A
SCHEMBL519474 0.84 PDE10A (0.39) P2RX7PDE10A
SCHEMBL518823 0.83 P2RX7 (0.40) P2RX7PDE10A
SCHEMBL519310 0.80 P2RX7 (0.41) P2RX7PDE10A
SCHEMBL519447 0.80 P2RX7 (0.41) P2RX7PDE10A
SCHEMBL518617 0.77 P2RX7 (0.39) P2RX7PDE10A
SCHEMBL519362 0.77 PDE10A (0.73) PDE10A
SCHEMBL519579 0.77 P2RX7 (0.41) P2RX7PDE10A
SCHEMBL17677257 0.76 PDE10A (0.46) P2RX7PDE10A

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-2393360-A1 PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2011-12-14 EP disclosed
WO-2010090737-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-12 WO disclosed