SCHEMBL8886142

SCHEMBL8886142

O=c1ccn([C@@H]2O[C@H](CO)[C@H]2CF)c(=O)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC28A1 O00337 1/20 0.67
SLC28A2 O43868 1/20 0.67
SLC29A1 Q99808 1/20 0.67
SLC28A3 Q9HAS3 1/20 0.67
P2RY2 P41231 11/20 0.50
P2RY6 Q15077 6/20 0.47
P2RY14 Q15391 4/20 0.47
P2RY4 P51582 4/20 0.46

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
SCHEMBL17198507 0.91 SLC28A1 (0.74) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL20610932 0.91 SLC28A1 (0.74) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL17198476 0.91 SLC28A1 (0.63) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL31543004 0.91 SLC28A1 (0.74) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL9144523 0.90 SLC28A1 (0.72) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL8887620 0.86 SLC28A1 (0.67) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL8888068 0.86 SLC28A1 (0.67) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL8889866 0.86 SLC28A1 (0.67) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL21418727 0.85 SLC28A1 (0.66) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL17198342 0.85 SLC28A1 (0.56) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2

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-5597824-A VIRICIDES ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
US-5420276-A Ring contraction via diazoketone intermediate, active against herpes ABBOTT LABORATORIES (US) 1995-05-30 US disclosed
EP-0433898-A2 Analogs of oxetanyl purines and pyrimidines ABBOTT LABORATORIES (US) 1991-06-26 EP disclosed