SCHEMBL20007931

SCHEMBL20007931

CC1CCN(C2CCSCC2)C2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 16/20 0.67
CYP3A4 P08684 1/20 0.67
TMEM97 Q5BJF2 1/20 0.67
ABCG2 Q9UNQ0 1/20 0.67

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
SCHEMBL80407 1.00 SLC22A2 (0.67) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19138023 1.00 SLC22A2 (0.67) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19220825 0.95 SLC22A2 (0.71) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL81807 0.95 SLC22A2 (0.71) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL18423621 0.95 SLC22A2 (0.71) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL82235 0.93 SLC22A2 (0.69) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19352715 0.93 SLC22A2 (0.69) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19071806 0.93 SLC22A2 (0.69) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19873193 0.90 SLC22A2 (0.52) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL81630 0.90 SLC22A2 (0.52) 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-3284520-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2019-06-05 EP disclosed
EP-3045206-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2018-03-28 EP disclosed