SCHEMBL1662080

SCHEMBL1662080

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.49
BACE2 Q9Y5Z0 1/20 0.49
NMUR2 Q9GZQ4 1/20 0.48
NMUR1 Q9HB89 1/20 0.48
AVPR1A P37288 1/20 0.48
GNPAT O15228 1/20 0.48
CPA1 P15085 1/20 0.46
CPA2 P48052 1/20 0.46
CPA4 Q9UI42 1/20 0.46
ABL1 P00519 1/20 0.45
SRC P12931 1/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.45
PAM P19021 1/20 0.45
CCKAR P32238 1/20 0.44
TACR3 P29371 1/20 0.43
OPRM1 P35372 1/20 0.43

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
SCHEMBL1661066 0.90 AVPR1A (0.44) NMUR2NMUR1AVPR1ANAALAD2CCKAR
SCHEMBL1662059 0.89 CTSL (0.54)
SCHEMBL1661011 0.88 ACE (0.48) BACE1BACE2NMUR2NMUR1AVPR1A
SCHEMBL12794620 0.86 NPY4R (0.54) GNPAT
SCHEMBL12792613 0.86 NPY4R (0.54) GNPAT
SCHEMBL1663151 0.85 CTSL (0.44) BACE1NMUR2NMUR1AVPR1ANAALAD2
SCHEMBL1661229 0.83 ACE (0.51) BACE1BACE2AVPR1ANAALAD2OPRM1
SCHEMBL13563442 0.80 ACE (0.60) GNPAT
SCHEMBL13563439 0.80 ACE (0.60) GNPAT
SCHEMBL13563434 0.80 ACE (0.60) GNPAT

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