SCHEMBL3522702

SCHEMBL3522702

CC(C)OCCCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3cccc(F)c3Cl)cn2CC1O

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
POU2F2 P09086 1/20 0.44

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
SCHEMBL2187245 0.87 POU2F2 (0.47) POU2F2
SCHEMBL3524024 0.87 POU2F2 (0.44) POU2F2
SCHEMBL3524919 0.85 SLC22A2 (0.43)
SCHEMBL3525902 0.83 SLC22A2 (0.48)
SCHEMBL2187036 0.80 SLC22A2 (0.45)
SCHEMBL2185556 0.80
SCHEMBL2186862 0.77 SLC22A2 (0.46)
SCHEMBL2186875 0.76 SLC22A2 (0.62)
SCHEMBL2187373 0.75 SLC22A2 (0.43)
SCHEMBL3525528 0.75 MAPK1 (0.50)

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