SCHEMBL25019708

SCHEMBL25019708

CCCN1CCCN2C(=O)c3c(O)c(=O)c(C(=O)NCc4ccc(F)cc4F)cn3CC12

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 13/20 0.59
CYP3A4 P08684 1/20 0.58
TMEM97 Q5BJF2 1/20 0.58
ABCG2 Q9UNQ0 1/20 0.58

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
SCHEMBL81824 0.92 SLC22A2 (0.57) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL82524 0.90 SLC22A2 (0.58) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL82674 0.90 SLC22A2 (0.63) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL81802 0.89 SLC22A2 (0.60) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL81750 0.88 SLC22A2 (0.58) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL81326 0.88 SLC22A2 (0.60) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19348180 0.86 SLC22A2 (0.69) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19220805 0.86 SLC22A2 (0.65) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL82906 0.85 SLC22A2 (0.54) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19072146 0.85 SLC22A2 (0.63) 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-3045206-B2 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2023-02-15 EP disclosed