SCHEMBL7379017

SCHEMBL7379017

CC(C)CC(NCC(C(=O)O)c1cncn1Nc1ccccc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRN P28799 2/20 0.38
SORT1 Q99523 2/20 0.38
DGAT1 O75907 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
MME P08473 2/20 0.36
ACE2 Q9BYF1 4/20 0.35
ACE P12821 3/20 0.35
NTSR1 P30989 1/20 0.35
LTA4H P09960 1/20 0.34

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
SCHEMBL7383996 0.93 MMP1 (0.38) GRNSORT1DGAT1GAAMAPK1
SCHEMBL7379326 0.82 GAA (0.42) GRNSORT1GAAMMEACE2
SCHEMBL7379064 0.80 GRN (0.42) GRNSORT1GAAACE2ACE
SCHEMBL5869916 0.79 ACE2 (0.38) GRNSORT1DGAT1GAAMAPK1
SCHEMBL3711706 0.79 ACE2 (0.41) GRNSORT1MMEACE2ACE
SCHEMBL7384899 0.79 GRN (0.37) GRNSORT1GAAMMEACE2
SCHEMBL3715236 0.77 ACE2 (0.39) GRNSORT1GAAACE2ACE
SCHEMBL7375023 0.77 ACE2 (0.39) GRNSORT1GAAMAPK1MME
SCHEMBL5869579 0.76 ACE2 (0.54) GRNSORT1DGAT1GAAMAPK1
SCHEMBL3712784 0.76 ACE2 (0.39) GRNSORT1MMEACE2ACE

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 4 patents. 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
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