SCHEMBL29533279

SCHEMBL29533279

CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 1/20 0.54
▸ NPY4R P50391 4/20 0.51
▸ NPY1R P25929 3/20 0.51
▸ NPY2R P49146 3/20 0.51
▸ ENPEP Q07075 5/20 0.50
▸ OPRD1 P41143 6/20 0.47
▸ CCKAR P32238 3/20 0.47
▸ CCKBR P32239 3/20 0.47
▸ OPRM1 P35372 2/20 0.46
▸ MME P08473 1/20 0.45
▸ ACE P12821 1/20 0.45
▸ CPA1 P15085 1/20 0.45
▸ ACE2 Q9BYF1 1/20 0.45
▸ NPY5R Q15761 2/20 0.45

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
SCHEMBL29533903 0.94 ENPEP (0.55) NPY4RNPY1RNPY2RENPEPOPRD1
SCHEMBL29533720 0.90 NAALAD2 (0.56) NAALAD2NPY4RNPY1RNPY2RENPEP
SCHEMBL31684377 0.90 NAALAD2 (0.65) NAALAD2NPY4RNPY1RNPY2RENPEP
SCHEMBL29533905 0.88 NAALAD2 (0.53) NAALAD2NPY4RNPY1RNPY2RENPEP
SCHEMBL30124150 0.87 NPY4R (0.58) NAALAD2NPY4RNPY1RNPY2ROPRD1
SCHEMBL29393258 0.84 NAALAD2 (0.67) NAALAD2NPY4RNPY1RNPY2RENPEP
SCHEMBL29418370 0.84 NAALAD2 (0.67) NAALAD2NPY4RNPY1RNPY2RENPEP
SCHEMBL38650819 0.84 NAALAD2 (0.67) NAALAD2NPY4RNPY1RNPY2RENPEP
SCHEMBL31031465 0.84 ERAP2 (0.54) NPY4RNPY1RNPY2RENPEPNPY5R
SCHEMBL30973975 0.84 ERAP2 (0.54) NPY4RNPY1RNPY2RENPEPNPY5R

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
US-20220133839-A1 PEPTIDE ANALOGUES WITH BRANCHED AMINO ACID PROBE(S) TXP PHARMA GMBH (CH) 2022-05-05 — — US disclosed
Send feedback