SCHEMBL7222176

SCHEMBL7222176

CCCC(NC(Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)O)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.77
ACE P12821 3/20 0.77
CYP11B1 P15538 8/20 0.41
CYP11B2 P19099 8/20 0.41
FNTA P49354 7/20 0.37
FNTB P49356 7/20 0.37
GRN P28799 1/20 0.35
SORT1 Q99523 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
SCHEMBL5869936 0.87 ACE2 (0.59) ACE2ACECYP11B1CYP11B2FNTA
Ore-1001 SCHEMBL5869293 0.87 ACE2 (1.00) ACE2ACECYP11B1CYP11B2FNTA
Ore-1001 SCHEMBL9994114 0.87 ACE2 (1.00) ACE2ACECYP11B1CYP11B2FNTA
Ore-1001 SCHEMBL9992978 0.87 ACE2 (1.00) ACE2ACECYP11B1CYP11B2FNTA
Ore-1001 SCHEMBL1656029 0.87 ACE2 (1.00) ACE2ACECYP11B1CYP11B2FNTA
Ore-1001 SCHEMBL2223815 0.87 ACE2 (1.00) ACE2ACECYP11B1CYP11B2FNTA
Ore-1001 SCHEMBL5869286 0.87 ACE2 (1.00) ACE2ACECYP11B1CYP11B2FNTA
Ore-1001 SCHEMBL1691048 0.87 ACE2 (1.00) ACE2ACECYP11B1CYP11B2FNTA
Ore-1001 SCHEMBL1691045 0.87 ACE2 (1.00) ACE2ACECYP11B1CYP11B2FNTA
Ore-1001 SCHEMBL9993284 0.87 ACE2 (1.00) 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
US-6632830-B1 Blood pressure related disease or disorder, cell proliferation disorder, kidney disorder, kinetensin associated disorder, inflammation associated disorder, or an allergic disorder MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 US disclosed