SCHEMBL7379062

SCHEMBL7379062

CC(C)CC(C(=O)O)N(CCc1cncn1C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.34
ACE P12821 3/20 0.34
CHRM5 P08912 1/20 0.32
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
NAMPT P43490 1/20 0.30
NOS1 P29475 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
SCHEMBL7379324 0.82 NOS1 (0.51) ACE2ACENOS1
SCHEMBL3711705 0.82 CYP11B1 (0.41) ACE2ACENOS1
SCHEMBL7380283 0.82 ACE2 (0.35) ACE2ACE
SCHEMBL7379013 0.80 NOS1 (0.32) ACE2ACENOS1
SCHEMBL7384893 0.80 CYP11B1 (0.32) ACE2ACENOS1
SCHEMBL3715181 0.79 ACE2 (0.43) ACE2ACE
SCHEMBL1656651 0.79 CYP11B1 (0.52) ACE2ACE
SCHEMBL7382789 0.79 ACE2 (0.46) ACE2ACE
SCHEMBL7422079 0.78 ACE2 (0.45) ACE2ACE
SCHEMBL7382597 0.78 CYP11B1 (0.53) ACE2ACE

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002543120-A 2002-12-17 JP claimed
WO-2000066104-A9 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2002-08-29 WO 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