SCHEMBL7732783

SCHEMBL7732783

CC1(C)O[C@@H]2C(COCC(F)(F)F)OC(n3cnc4c(Cl)ncnc43)[C@@H]2O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.54
PI4KA P42356 1/20 0.54
PI4K2B Q8TCG2 1/20 0.54
PI4K2A Q9BTU6 1/20 0.54
PI4KB Q9UBF8 1/20 0.54
P2RX3 P56373 3/20 0.50
P2RX1 P51575 2/20 0.50
P2RX4 Q99571 2/20 0.50
AMD1 P17707 2/20 0.46
TYMP P19971 1/20 0.45
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
SLC29A1 Q99808 2/20 0.37
GAA P10253 1/20 0.37
ADORA3 P0DMS8 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
SCHEMBL7732794 1.00 RXFP1 (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL6659324 0.87 RXFP1 (0.59) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL6659329 0.87 RXFP1 (0.59) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1795964 0.85 RXFP1 (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1795283 0.85 RXFP1 (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1795275 0.85 RXFP1 (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1795966 0.85 RXFP1 (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL20524284 0.84 P2RX3 (0.58) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1796531 0.83 RXFP1 (0.69) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1798145 0.83 RXFP1 (0.57) RXFP1PI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407076-B1 ANTIISCHEMIC, ANTILIPOLYTIC, ANTICONVULSANT AND HYPOTENSIVE AGENTS; CARDIOVASCULAR AND NERVOUS SYSTEM DISORDERS; ATHEROSCLEROSIS SMITHKLINE BEECHAM CORPORATION 2002-06-18 US disclosed
EP-1027363-A2 ADENOSINE A1-RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-16 EP disclosed
WO-1999024450-A2 ADENSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO disclosed