SCHEMBL7380283

SCHEMBL7380283

CCC(CC)Cn1cncc1CCN(C(=O)O)C(CC(C)C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.35
ACE P12821 3/20 0.35
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL7379062 0.82 ACE2 (0.34) ACE2ACE
SCHEMBL3711705 0.81 CYP11B1 (0.41) ACE2ACECYP11B1CYP11B2
SCHEMBL7382789 0.80 ACE2 (0.46) ACE2ACECYP11B1CYP11B2
SCHEMBL3715181 0.80 ACE2 (0.43) ACE2ACECYP11B1CYP11B2
SCHEMBL1656651 0.80 CYP11B1 (0.52) ACE2ACECYP11B1CYP11B2
SCHEMBL3712452 0.80 ACE2 (0.41) ACE2ACECYP11B1CYP11B2
SCHEMBL7382597 0.79 CYP11B1 (0.53) ACE2ACECYP11B1CYP11B2
SCHEMBL7422079 0.79 ACE2 (0.45) ACE2ACECYP11B1CYP11B2
SCHEMBL7381208 0.79 FNTA (0.37) ACE2ACE
SCHEMBL1655470 0.79 ACE2 (0.59) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002543120-A 2002-12-17 JP claimed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed
EP-1183019-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-03-06 EP claimed
WO-2000066104-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2000-11-09 WO claimed
WO-2000066104-A9 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2002-08-29 WO disclosed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed
EP-1183019-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-03-06 EP disclosed
WO-2000066104-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2000-11-09 WO disclosed