SCHEMBL30979971

SCHEMBL30979971

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.53
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
NPY4R P50391 1/20 0.50
BACE1 P56817 5/20 0.49
KISS1R Q969F8 4/20 0.47
CTSD P07339 1/20 0.45
ENPEP Q07075 5/20 0.45
MME P08473 1/20 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
SCHEMBL29590470 0.92 KISS1R (0.51) NAALAD2NPY1RNPY2RNPY4RKISS1R
SCHEMBL31083820 0.91 NAALAD2 (0.54) NAALAD2NPY1RNPY2RNPY4RENPEP
SCHEMBL31575746 0.91 NAALAD2 (0.54) NAALAD2NPY1RNPY2RNPY4RENPEP
SCHEMBL30066834 0.90 NAALAD2 (0.53) NAALAD2NPY1RNPY2RNPY4RBACE1
SCHEMBL30843898 0.90 ENPEP (0.51) NAALAD2NPY1RNPY2RNPY4RKISS1R
SCHEMBL29489420 0.90 BACE1 (0.53) NAALAD2NPY1RNPY2RNPY4RBACE1
SCHEMBL29630373 0.89 NPY1R (0.52) NAALAD2NPY1RNPY2RNPY4RKISS1R
SCHEMBL29630527 0.89 NPY4R (0.54) NAALAD2NPY1RNPY2RNPY4RBACE1
SCHEMBL29591795 0.89 NPY4R (0.54) NAALAD2NPY1RNPY2RNPY4RBACE1
SCHEMBL30123077 0.89 ENPEP (0.52) NPY1RNPY2RNPY4RKISS1RENPEP

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
EP-3160517-B1 WATER-SOLUBLE ACTIVATABLE MOLECULAR PROBES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND ASSOCIATED DETECTION METHODS ECOLE NORMALE SUPERIEURE LYON (FR) 2024-06-12 EP disclosed