SCHEMBL4789528

SCHEMBL4789528

CN(CCC1(CCCN)NC(=O)c2ccc(Cl)cc21)C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL499609 0.87 PDK2 (0.37) SLC6A9
Trifluoroacetic Acid SCHEMBL499608 0.87 PDK2 (0.37) SLC6A9
SCHEMBL10253752 0.86 PDK2 (0.36) SLC6A9
Trifluoroacetic Acid SCHEMBL4789527 0.86 SLC6A9 (0.33) SLC6A9
SCHEMBL499226 0.84 SLC6A9 (0.34) SLC6A9
SCHEMBL499029 0.78 PDK2 (0.36) SLC6A9
SCHEMBL499028 0.78 PDK2 (0.36) SLC6A9
SCHEMBL499353 0.75 SLC6A9 (0.35) SLC6A9
SCHEMBL8084228 0.73 PDK2 (0.36) SLC6A9
SCHEMBL499980 0.70 HPGD (0.34) SLC6A9

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
WO-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed