SCHEMBL4557992

SCHEMBL4557992

FC(F)(F)c1cccc(C[AsH2])c1Cl

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
IDO1 P14902 2/20 0.40
PTGS2 P35354 1/20 0.39
NOTUM Q6P988 1/20 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
SCHEMBL10540791 0.82 P2RX7 (0.46) P2RX7SLC6A2SLC6A4IDO1NOTUM
SCHEMBL1635491 0.82 PNMT (0.54) P2RX7SLC6A2SLC6A4IDO1NOTUM
SCHEMBL10747351 0.82 P2RX7 (0.46) P2RX7SLC6A2SLC6A4IDO1NOTUM
SCHEMBL2632854 0.80 P2RX7 (0.49) P2RX7SLC6A2SLC6A4
SCHEMBL3283101 0.80 P2RX7 (0.44) P2RX7SLC6A2SLC6A4
SCHEMBL29129467 0.80 P2RX7 (0.44) P2RX7SLC6A2SLC6A4IDO1NOTUM
SCHEMBL488470 0.80 P2RX7 (0.53) P2RX7SLC6A2SLC6A4IDO1NOTUM
SCHEMBL1043059 0.78 P2RX7 (0.57) P2RX7IDO1NOTUM
SCHEMBL25089767 0.77 P2RX7 (0.42) P2RX7SLC6A2SLC6A4IDO1NOTUM
SCHEMBL15532421 0.77 TRPV1 (0.43) P2RX7SLC6A2SLC6A4

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-2009074518-A1 COMBINATIONS OF PROLINAMIDE P2X7 MODULATORS WITH FURTHER THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed