SCHEMBL9943501

SCHEMBL9943501

CC1CO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(OCc4ccccc4)c3C(=O)N12

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 17/20 0.62
CYP3A4 P08684 1/20 0.62
TMEM97 Q5BJF2 1/20 0.62
ABCG2 Q9UNQ0 1/20 0.62

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
SCHEMBL19137975 1.00 SLC22A2 (0.62) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL29775453 1.00 SLC22A2 (0.62) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2160753 1.00 SLC22A2 (0.62) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL80839 1.00 SLC22A2 (0.62) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL29391507 1.00 SLC22A2 (0.62) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL17072299 1.00 SLC22A2 (0.62) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL81877 1.00 SLC22A2 (0.62) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL18854204 0.93 SLC22A2 (0.74) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL18854377 0.93 SLC22A2 (0.74) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2302444 0.93 SLC22A2 (0.74) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2465580-A1 Polycyclic carbamoylpyridone derivatives having hiv integrase inhibitory activity Glaxosmithkline LLC (US) 2012-06-20 EP disclosed