SCHEMBL4769323

SCHEMBL4769323

CCCCn1c(=O)c([N+](=O)[O-])c(C=Cc2cnn(Cc3ccccc3C(F)(F)F)c2)n(C(C)OC)c1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 9/20 0.42
ADORA1 P30542 7/20 0.42
ADORA2A P29274 6/20 0.42
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
ADORA3 P0DMS8 2/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 2/20 0.34
NPBWR1 P48145 1/20 0.34
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
SCD5 Q86SK9 1/20 0.32
TAS2R8 Q9NYW2 1/20 0.31

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
SCHEMBL4766136 0.91 ADORA2B (0.45) ADORA2BADORA1ADORA2ANCOA1NCOA3
SCHEMBL4766146 0.91 ADORA2B (0.45) ADORA2BADORA1ADORA2ANCOA1NCOA3
SCHEMBL4770754 0.91 ADORA2B (0.48) ADORA2BADORA1ADORA2ANCOA1NCOA3
SCHEMBL4770747 0.91 ADORA2B (0.48) ADORA2BADORA1ADORA2ANCOA1NCOA3
SCHEMBL4763212 0.90 ADORA2B (0.40) ADORA2BADORA1ADORA2ANCOA1NCOA3
SCHEMBL4763210 0.90 ADORA2B (0.40) ADORA2BADORA1ADORA2ANCOA1NCOA3
SCHEMBL4763386 0.89 ADORA2A (0.38) ADORA2BADORA1ADORA2ANCOA1NCOA3
SCHEMBL4763383 0.89 ADORA2A (0.38) ADORA2BADORA1ADORA2ANCOA1NCOA3
SCHEMBL4769319 0.89 ADORA2B (0.44) ADORA2BADORA1ADORA2ANCOA1NCOA3
SCHEMBL4770831 0.89 ADORA2B (0.43) ADORA2BADORA1ADORA2ANCOA1NCOA3

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-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed