Sugi Predict

Sugi Predict / Compounds / SCHEMBL7427935

SCHEMBL7427935

SCHEMBL7427935

Cc1ccc(Cn2cncc2CC(NC(CC(C)C)C(=O)OC(=O)C(CC(C)C)NCC(C(=O)O)c2cncn2Cc2cc(Cl)cc(Cl)c2)C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 4/20 0.66
▸ ACE P12821 3/20 0.66
▸ CYP11B1 P15538 8/20 0.37
▸ CYP11B2 P19099 8/20 0.37
▸ GRN P28799 3/20 0.32
▸ SORT1 Q99523 3/20 0.32
▸ FNTA P49354 4/20 0.31
▸ FNTB P49356 4/20 0.31
▸ P2RX3 P56373 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
SCHEMBL22654360 0.92 ACE2 (0.78) ACE2ACECYP11B1CYP11B2GRN
SCHEMBL7384416 0.92 ACE2 (0.52) ACE2ACECYP11B1CYP11B2GRN
Ore-1001 SCHEMBL22654361 0.86 ACE2 (0.89) ACE2ACECYP11B1CYP11B2GRN
SCHEMBL8258853 0.82 ACE2 (0.84) ACE2ACECYP11B1CYP11B2GRN
SCHEMBL5870164 0.82 ACE2 (0.84) ACE2ACECYP11B1CYP11B2GRN
SCHEMBL7531333 0.82 ACE2 (0.55) ACE2ACECYP11B1CYP11B2GRN
SCHEMBL1655474 0.82 ACE2 (0.64) ACE2ACECYP11B1CYP11B2GRN
SCHEMBL3704484 0.82 ACE2 (0.64) ACE2ACECYP11B1CYP11B2GRN
Ore-1001 SCHEMBL1656029 0.81 ACE2 (1.00) ACE2ACECYP11B1CYP11B2GRN
Ore-1001 SCHEMBL1691045 0.81 ACE2 (1.00) ACE2ACECYP11B1CYP11B2GRN

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