SCHEMBL253124

SCHEMBL253124

O=C(NCc1ccc(OC2CCOCC2)c(C(F)(F)F)c1)c1cnc2ncccc2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STAMBP O95630 6/20 0.44
PSMD14 O00487 5/20 0.44
NAMPT P43490 5/20 0.43
SYK P43405 1/20 0.42
SCD O00767 2/20 0.42
COPS5 Q92905 5/20 0.41
EPHX2 P34913 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPK1 P28482 1/20 0.39
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
ROCK2 O75116 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
SCHEMBL253733 0.85 SYK (0.45) SYKSCDEPHX2
SCHEMBL253234 0.80 PSMD14 (0.50) STAMBPPSMD14COPS5MAPK1
SCHEMBL255348 0.78 NAMPT (0.52) STAMBPPSMD14NAMPTCOPS5MAPK1
SCHEMBL619849 0.77 SYK (0.59) SYKSCDEPHX2PDE4D
SCHEMBL253123 0.76 SYK (0.42) SYKSCDPDE4DROCK2
SCHEMBL248208 0.74 TRPV1 (0.47) STAMBPPSMD14EPHX2
SCHEMBL253706 0.74 MLYCD (0.58) STAMBPPSMD14NAMPTCOPS5ROCK2
SCHEMBL252287 0.73 STAMBP (0.51) STAMBPPSMD14NAMPTCOPS5
SCHEMBL10232978 0.73 SYK (0.54) NAMPTSYKEPHX2PDE4D
SCHEMBL13186819 0.73 SYK (0.43) SYKSCDPDE4D

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
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP claimed