SCHEMBL21696409

SCHEMBL21696409

O=C(NCc1ccc(F)c(Cl)c1)c1cn2c(c(O)c1=O)C(=O)N1CCCCC1C2

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 17/20 0.51
CYP3A4 P08684 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46

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
SCHEMBL23026383 1.00 SLC22A2 (0.51) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL21696359 0.93 SLC22A2 (0.51) SLC22A2
SCHEMBL81225 0.89 SLC22A2 (0.51) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL23026388 0.88 SLC22A2 (0.49) SLC22A2
SCHEMBL21696408 0.87 SLC22A2 (0.50) SLC22A2
SCHEMBL23026361 0.87 SLC22A2 (0.50) SLC22A2
SCHEMBL83470 0.86 SLC22A2 (0.52) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL23026372 0.85 SLC22A2 (0.55) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL21696407 0.85 SLC22A2 (0.55) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL21696376 0.85 SLC22A2 (0.64) 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-4122935-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE Gilead Sciences, Inc. (US) 2023-01-25 EP disclosed
EP-3608325-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE Gilead Sciences, Inc. (US) 2020-02-12 EP disclosed