SCHEMBL12434937

SCHEMBL12434937

O=C(NCc1ccc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1C[C@H]3CCCN3C1C2

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 15/20 0.64
CYP3A4 P08684 1/20 0.60
TMEM97 Q5BJF2 1/20 0.60
ABCG2 Q9UNQ0 1/20 0.60

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
SCHEMBL2678807 1.00 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19177145 1.00 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL30231732 1.00 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL29464234 1.00 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL80366 1.00 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19041037 1.00 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL82075 1.00 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL86352 1.00 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL21356931 1.00 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL81764 0.99 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376080-B1 SYNTHESIS OF CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS AND INTERMEDIATES SHIONOGI & CO (JP) 2017-09-13 EP disclosed
EP-3127542-A1 ANTIVIRAL THERAPY VIIV Healthcare Company (US) 2017-02-08 EP disclosed
EP-2932970-A1 ANTIVIRAL THERAPY VIIV Healthcare Company (US) 2015-10-21 EP disclosed
WO-2011094150-A1 ANTIVIRAL THERAPY GLAXOSMITHKLINE LLC (US) 2011-08-04 WO disclosed