SCHEMBL3527796

SCHEMBL3527796

CNC(=O)N1C(=O)c2c(O)c(=O)c(C(=O)NCc3ccc(F)cc3)cn2C(C)C1O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.43
POU2F2 P09086 4/20 0.43
SLC22A2 O15244 2/20 0.39
CYP3A4 P08684 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL4167533 0.76 POU2F2 (0.44) LIPGPOU2F2SLC22A2CYP3A4TMEM97
SCHEMBL2186003 0.74 POU2F2 (0.45) POU2F2SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL4154425 0.74 POU2F2 (0.47) LIPGPOU2F2
SCHEMBL3528387 0.73 POU2F2 (0.47) LIPGPOU2F2
SCHEMBL17005272 0.73 POU2F2 (0.45) POU2F2SLC22A2
SCHEMBL81275 0.73 POU2F2 (0.50) POU2F2SLC22A2CYP3A4
SCHEMBL2187039 0.73 POU2F2 (0.44) POU2F2SLC22A2
SCHEMBL82602 0.73 POU2F2 (0.51) POU2F2SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL3522619 0.72 POU2F2 (0.48) LIPGPOU2F2
SCHEMBL4176600 0.72 POU2F2 (0.43) LIPGPOU2F2SLC22A2

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-7858788-B2 Bicyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2010-12-28 US disclosed