SCHEMBL7534889

SCHEMBL7534889

CCOC(=O)[C@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)NC(CC(C)C)C(=O)O

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.84
ACE P12821 3/20 0.84
GRN P28799 3/20 0.41
SORT1 Q99523 3/20 0.41
CYP11B1 P15538 7/20 0.39
CYP11B2 P19099 7/20 0.39
FNTA P49354 5/20 0.37
FNTB P49356 5/20 0.37
MDM2 Q00987 1/20 0.35

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
SCHEMBL5869908 1.00 ACE2 (0.84) ACE2ACEGRNSORT1CYP11B1
SCHEMBL5869960 1.00 ACE2 (0.84) ACE2ACEGRNSORT1CYP11B1
SCHEMBL5869904 1.00 ACE2 (0.84) ACE2ACEGRNSORT1CYP11B1
SCHEMBL8258853 0.96 ACE2 (0.84) ACE2ACEGRNSORT1CYP11B1
SCHEMBL5870164 0.96 ACE2 (0.84) ACE2ACEGRNSORT1CYP11B1
SCHEMBL5869661 0.95 ACE2 (0.75) ACE2ACEGRNSORT1CYP11B1
SCHEMBL8258846 0.95 ACE2 (0.75) ACE2ACEGRNSORT1CYP11B1
SCHEMBL8430323 0.94 ACE2 (0.74) ACE2ACEGRNSORT1CYP11B1
SCHEMBL5870265 0.93 ACE2 (0.87) ACE2ACEGRNSORT1CYP11B1
SCHEMBL12040382 0.93 ACE2 (0.87) ACE2ACEGRNSORT1CYP11B1

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 disclosed