SCHEMBL19987972

SCHEMBL19987972

O=C(NCc1ccc(F)cc1F)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N1CC[C@H]3CCCCN3C1C2

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 14/20 0.47
CYP3A4 P08684 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
ABCG2 Q9UNQ0 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
SCHEMBL17923542 1.00 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL82201 1.00 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL30232130 1.00 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL81545 1.00 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL29775433 1.00 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL82290 0.98 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL17748203 0.98 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL29775463 0.98 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19307744 0.95 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL82531 0.95 SLC22A2 (0.47) 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 2 patents. 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
EP-3045206-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2018-03-28 EP disclosed