SCHEMBL29630449

SCHEMBL29630449

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

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.55
NPY1R P25929 1/20 0.54
NPY2R P49146 1/20 0.54
NPY4R P50391 1/20 0.54
ENPEP Q07075 4/20 0.53
SLC7A5 Q01650 1/20 0.50
YARS1 P54577 2/20 0.49
OPRM1 P35372 2/20 0.48

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
SCHEMBL31256994 0.98 NPY1R (0.56) NAALAD2NPY1RNPY2RNPY4RENPEP
SCHEMBL29630754 0.98 NAALAD2 (0.54) NAALAD2NPY1RNPY2RNPY4RENPEP
SCHEMBL29591937 0.98 NAALAD2 (0.54) NAALAD2NPY1RNPY2RNPY4RENPEP
SCHEMBL29630383 0.96 NAALAD2 (0.56) NAALAD2NPY1RNPY2RNPY4RENPEP
SCHEMBL29592338 0.96 NAALAD2 (0.51) NAALAD2NPY1RNPY2RNPY4RENPEP
SCHEMBL29991917 0.95 OPRM1 (0.54) OPRM1
SCHEMBL5970485 0.95 NAALAD2 (0.56) NAALAD2NPY1RNPY2RNPY4RENPEP
SCHEMBL2488237 0.95 NAALAD2 (0.56) NAALAD2NPY1RNPY2RNPY4RENPEP
SCHEMBL29630373 0.94 NPY1R (0.52) NAALAD2NPY1RNPY2RNPY4RENPEP
SCHEMBL30123053 0.93 ENPEP (0.53) NAALAD2NPY1RNPY2RNPY4RENPEP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 US disclosed