SCHEMBL29630345

SCHEMBL29630345

N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 15/20 0.46
NPY1R P25929 9/20 0.46
NPY5R Q15761 7/20 0.46
NPY2R P49146 5/20 0.46
PTGS1 P23219 1/20 0.41
GSTK1 Q9Y2Q3 1/20 0.41
GLO1 Q04760 1/20 0.39
EGFR P00533 1/20 0.37
NOD1 Q9Y239 1/20 0.36

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
SCHEMBL30063856 1.00 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2RPTGS1
SCHEMBL30372267 0.99 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2RPTGS1
SCHEMBL30372053 0.99 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2RPTGS1
SCHEMBL3505407 0.95 NPY4R (0.48) NPY4RNPY1RNPY5RNPY2RPTGS1
SCHEMBL29630497 0.94 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2RPTGS1
SCHEMBL29590332 0.94 PTGS1 (0.43) NPY4RNPY1RNPY5RNPY2RPTGS1
SCHEMBL30148051 0.94 NPY4R (0.50) NPY4RNPY1RNPY5RNPY2RPTGS1
SCHEMBL30929978 0.94 NPY4R (0.50) NPY4RNPY1RNPY5RNPY2RPTGS1
SCHEMBL29412493 0.94 NPY4R (0.50) NPY4RNPY1RNPY5RNPY2RPTGS1
SCHEMBL29630523 0.93 NPY4R (0.40) NPY4RNPY1RNPY5RNPY2RPTGS1

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