SCHEMBL1661229

SCHEMBL1661229

CC(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.51
AVPR1A P37288 1/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.47
BACE1 P56817 1/20 0.47
BACE2 Q9Y5Z0 1/20 0.47
OPRM1 P35372 2/20 0.46

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
SCHEMBL1663148 0.90 APC (0.51) ACEAVPR1ANAALAD2BACE1BACE2
SCHEMBL1661066 0.89 AVPR1A (0.44) ACEAVPR1ANAALAD2
SCHEMBL12793611 0.85 NPY4R (0.60)
SCHEMBL1661011 0.83 ACE (0.48) ACEAVPR1ABACE1BACE2OPRM1
SCHEMBL1662080 0.83 BACE1 (0.49) AVPR1ANAALAD2BACE1BACE2OPRM1
SCHEMBL25676454 0.80 ACE (0.57) ACE
SCHEMBL1663151 0.79 CTSL (0.44) AVPR1ANAALAD2BACE1
SCHEMBL1661176 0.79 CTSL (0.65)
SCHEMBL1661910 0.79 CTSL (0.65)
SCHEMBL1660926 0.79 CTSL (0.56) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO claimed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO disclosed