SCHEMBL7424859

SCHEMBL7424859

CC(C)CC(C(=O)OC(C)(C)C)N(CCc1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.51
ACE P12821 3/20 0.51
CYP11B1 P15538 10/20 0.39
CYP11B2 P19099 10/20 0.39
FNTA P49354 6/20 0.35
FNTB P49356 6/20 0.35
PGGT1B P53609 1/20 0.33

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
SCHEMBL7531327 0.89 ACE2 (0.52) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL1655470 0.88 ACE2 (0.59) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL1655482 0.88 ACE2 (0.59) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL7384406 0.83 ACE2 (0.54) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL1656651 0.80 CYP11B1 (0.52) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL3681437 0.79 ACE2 (0.48) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL7421725 0.79 ACE2 (0.51) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL7424798 0.79 ACE2 (0.51) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL7382789 0.78 ACE2 (0.46) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL7422079 0.77 ACE2 (0.45) ACE2ACECYP11B1CYP11B2

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-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed