SCHEMBL8743569

SCHEMBL8743569

Nc1ccn(CC(F)(F)CCO)c(=O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.42
SLC22A6 Q4U2R8 1/20 0.41
PDE3A Q14432 3/20 0.40
PDE4D Q08499 1/20 0.40
SLC29A1 Q99808 1/20 0.40
LMNA P02545 3/20 0.38
CACNA1F O60840 2/20 0.38
ALB P02768 2/20 0.38
MAPT P10636 2/20 0.38
CACNA1D Q01668 2/20 0.38
CACNA1S Q13698 2/20 0.38
CACNA1C Q13936 2/20 0.38
THRB P10828 1/20 0.36
MTOR P42345 1/20 0.36
MDM2 Q00987 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
EP300 Q09472 7/20 0.33
CYP2D6 P10635 1/20 0.31
DNMT1 P26358 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
SCHEMBL14639387 0.81 FGFR1 (0.42) FGFR1SLC22A6PDE3APDE4DSLC29A1
SCHEMBL5180810 0.78 FGFR1 (0.46) FGFR1SLC22A6PDE3APDE4DSLC29A1
SCHEMBL8743549 0.77 MAOA (0.35) FGFR1SLC22A6EP300HDAC1HDAC6
SCHEMBL10436367 0.77 FGFR1 (0.42) FGFR1SLC22A6PDE3APDE4DSLC29A1
SCHEMBL3680116 0.76 FGFR1 (0.52) FGFR1SLC22A6PDE3APDE4DSLC29A1
SCHEMBL236000 0.76 FGFR1 (0.51) FGFR1SLC22A6PDE3APDE4DSLC29A1
SCHEMBL16978939 0.74 FGFR1 (0.42) FGFR1SLC22A6PDE3APDE4DSLC29A1
SCHEMBL12261276 0.73 FGFR1 (0.47) FGFR1SLC22A6PDE3APDE4DSLC29A1
SCHEMBL17372300 0.72 FGFR1 (0.44) FGFR1SLC22A6PDE3APDE4DSLC29A1
SCHEMBL1892698 0.72 FGFR1 (0.44) FGFR1SLC22A6PDE3ALMNACACNA1F

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
EP-0335770-B1 Novel fluorophosphonate nucleotide derivatives MERRELL PHARMA INC (US) 1997-01-15 EP disclosed
EP-0339161-A1 Novel fluorophosphonate nucleotide derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1989-11-02 EP disclosed
EP-0335770-A2 Novel fluorophosphonate nucleotide derivatives MERRELL PHARMACEUTICALS INC. (US) 1989-10-04 EP disclosed