SCHEMBL7678271

SCHEMBL7678271

CCC(C)C(N)C(=O)N(C(=O)C(N)C(C)CC)C(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
ACE P12821 9/20 0.46
MME P08473 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
TAAR1 Q96RJ0 3/20 0.44
SLC6A2 P23975 1/20 0.44
FOLH1 Q04609 1/20 0.39
ANPEP P15144 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38

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
SCHEMBL7678296 1.00 SLC7A5 (0.48) SLC7A5ACEMMECPA1ACE2
SCHEMBL4985134 0.86 ACE (0.44) SLC7A5ACEMMECPA1ACE2
SCHEMBL16275180 0.85 SLC7A5 (0.54) SLC7A5ACEMMECPA1ACE2
SCHEMBL16275179 0.85 SLC7A5 (0.54) SLC7A5ACEMMECPA1ACE2
SCHEMBL3354528 0.80 SLC7A5 (0.55) SLC7A5TAAR1SLC6A2FOLH1ESR1
SCHEMBL8990000 0.79 SLC7A5 (0.48) SLC7A5ACEMMECPA1ACE2
Tyrosine SCHEMBL14247975 0.78 SLC7A5 (0.71) SLC7A5ACEMMECPA1ACE2
Tyrosine SCHEMBL1537436 0.78 SLC7A5 (0.71) SLC7A5ACEMMECPA1ACE2
Tyrosine SCHEMBL14562522 0.78 SLC7A5 (0.71) SLC7A5ACEMMECPA1ACE2
Tyrosine SCHEMBL1537442 0.78 SLC7A5 (0.71) SLC7A5ACEMMECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002078470-A1 DRINKS CONTAINING ISOLEUCYL TYROSINE KIRIN BEER KABUSHIKI KAISHA (JP) 2002-10-10 WO disclosed