SCHEMBL13363654

SCHEMBL13363654

CC[C@H](C)[C@H](NC(=O)[C@@H](C)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.49
▸ MME P08473 1/20 0.41
▸ CPA1 P15085 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ GRB2 P62993 1/20 0.38
▸ REN P00797 5/20 0.38
▸ LNPEP Q9UIQ6 2/20 0.38
▸ ERAP2 Q6P179 1/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.38
▸ ANPEP P15144 1/20 0.37
▸ NPY4R P50391 1/20 0.37
▸ KISS1R Q969F8 2/20 0.37

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
SCHEMBL31020877 0.90 ACE (0.47) ACEGRB2NPY4RKISS1R
SCHEMBL16507827 0.90 ACE (0.49) ACEMMECPA1ACE2REN
SCHEMBL16358941 0.87 ACE (0.46) ACEMMECPA1ACE2GRB2
SCHEMBL16359347 0.87 ACE (0.46) ACEMMECPA1ACE2GRB2
SCHEMBL8252710 0.84 REN (0.38) ACEGRB2REN
SCHEMBL16507899 0.83 PTPN1 (0.44) ACERENNPY4R
SCHEMBL30670300 0.81 LNPEP (0.54) ACEMMECPA1ACE2LNPEP
SCHEMBL16507942 0.80 ACE (0.39) ACENPY4R
SCHEMBL11014003 0.80 REN (0.47) ACEMMECPA1ACE2REN
SCHEMBL16507850 0.80 NPY4R (0.47) ACERENNPY4RKISS1R

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-2010053548-A2 PTHR1 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2010-05-14 — — WO disclosed
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