SCHEMBL29533905

SCHEMBL29533905

CSCC[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 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 1/20 0.53
▸ NPY1R P25929 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ NPY4R P50391 1/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ BACE1 P56817 2/20 0.45
▸ FNTA P49354 7/20 0.45
▸ FNTB P49356 7/20 0.45
▸ PGGT1B P53609 5/20 0.45
▸ ENPEP Q07075 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
SCHEMBL29533650 0.90 NAALAD2 (0.55) NAALAD2LTA4HBACE1
SCHEMBL29430202 0.90 NAALAD2 (0.56) NAALAD2LTA4HBACE1FNTAFNTB
SCHEMBL31684377 0.89 NAALAD2 (0.65) NAALAD2NPY1RNPY2RNPY4RENPEP
SCHEMBL30320511 0.88 BACE1 (0.47) NAALAD2BACE1FNTAFNTB
SCHEMBL29533279 0.88 NAALAD2 (0.54) NAALAD2NPY1RNPY2RNPY4RENPEP
SCHEMBL29580882 0.87 ENPEP (0.52) NPY1RNPY2RNPY4RLTA4HFNTA
SCHEMBL31039954 0.87 FNTA (0.51) NPY1RNPY2RNPY4RFNTAFNTB
SCHEMBL29630531 0.87 FNTA (0.46) NAALAD2LTA4HBACE1FNTAFNTB
SCHEMBL30124150 0.87 NPY4R (0.58) NAALAD2NPY1RNPY2RNPY4RBACE1
SCHEMBL3511481 0.86 BACE1 (0.44) NAALAD2LTA4HBACE1FNTAFNTB

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
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