SCHEMBL16359347

SCHEMBL16359347

CC[C@H](C)[C@H](NC(=O)CCc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.46
▸ ERAP2 Q6P179 1/20 0.39
▸ ERAP1 Q9NZ08 1/20 0.39
▸ LNPEP Q9UIQ6 1/20 0.39
▸ MME P08473 1/20 0.38
▸ CPA1 P15085 1/20 0.38
▸ ACE2 Q9BYF1 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ NPY1R P25929 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ NPY4R P50391 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ GRIA1 P42261 1/20 0.36
▸ GRB2 P62993 1/20 0.36
▸ HRH1 P35367 3/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CHRND Q07001 2/20 0.35

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
SCHEMBL16358941 1.00 ACE (0.46) ACEERAP2ERAP1LNPEPMME
SCHEMBL16507942 0.91 ACE (0.39) ACENPY1RNPY2RNPY4RNPY5R
SCHEMBL16358940 0.91 ACE (0.38) ACE
SCHEMBL13363654 0.87 ACE (0.49) ACEERAP2ERAP1LNPEPMME
SCHEMBL16507827 0.85 ACE (0.49) ACELNPEPMMECPA1ACE2
SCHEMBL31020877 0.85 ACE (0.47) ACENPY1RNPY2RNPY4RNPY5R
SCHEMBL16507899 0.78 PTPN1 (0.44) ACENPY4R
SCHEMBL11012174 0.78 ACE (0.43) ACEERAP2ERAP1LNPEPMME
SCHEMBL7281103 0.77 PARP1 (0.50) ERAP2ERAP1LNPEP
SCHEMBL13363651 0.77 ACE (0.46) ACEMMECPA1ACE2HTT

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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