SCHEMBL7429445

SCHEMBL7429445

CC(C)CC(C(=O)O)N(CCc1cncn1Cc1ccc(I)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.43
ACE P12821 3/20 0.43
CYP11B1 P15538 14/20 0.42
CYP11B2 P19099 14/20 0.42
FNTA P49354 1/20 0.33
FNTB P49356 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
SCHEMBL3715181 0.91 ACE2 (0.43) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL1656651 0.91 CYP11B1 (0.52) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL7391521 0.90 ACE2 (0.45) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL7382597 0.90 CYP11B1 (0.53) ACE2ACECYP11B1CYP11B2
SCHEMBL3710371 0.89 CYP11B1 (0.41) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL3712509 0.88 ACE2 (0.41) ACE2ACECYP11B1CYP11B2
SCHEMBL3712452 0.88 ACE2 (0.41) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL1655465 0.87 ACE2 (0.45) ACE2ACECYP11B1CYP11B2
SCHEMBL1658172 0.87 CYP11B1 (0.55) CYP11B1CYP11B2FNTAFNTB
SCHEMBL1661113 0.87 CYP11B1 (0.41) ACE2ACECYP11B1CYP11B2FNTA

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