SCHEMBL19975899

SCHEMBL19975899

CCOC(O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.67
F2 P00734 5/20 0.67
SLC29A1 Q99808 1/20 0.67
PDE4A P27815 3/20 0.54
PDE4B Q07343 3/20 0.54
PDE4C Q08493 3/20 0.54
PDE4D Q08499 3/20 0.54

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
SCHEMBL6218254 0.89 F10 (0.69) F10F2SLC29A1PDE4APDE4B
SCHEMBL19112113 0.88 F10 (0.52) F10F2SLC29A1PDE4APDE4B
SCHEMBL14629585 0.83 F10 (0.74) F10F2SLC29A1PDE4APDE4B
SCHEMBL15490610 0.83 PDE4A (0.76) F10F2SLC29A1PDE4APDE4B
SCHEMBL14240837 0.83 F10 (0.66) F10F2SLC29A1PDE4APDE4B
SCHEMBL541837 0.83 F10 (0.77) F10F2SLC29A1PDE4APDE4B
SCHEMBL19086424 0.82 F10 (0.75) F10F2SLC29A1PDE4APDE4B
SCHEMBL18365276 0.82 F10 (0.85) F10F2SLC29A1PDE4APDE4B
SCHEMBL28382402 0.82 F10 (0.78) F10F2SLC29A1PDE4APDE4B
SCHEMBL1997436 0.82 F10 (0.75) F10F2SLC29A1PDE4APDE4B

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
US-9920051-B2 Key intermediates and impurities of the synthesis of apixaban: apixaban glycol esters F.I.S.—Fabbrica Italiana Sintetici S.p.A. (IT) 2018-03-20 US disclosed