SCHEMBL29630426

SCHEMBL29630426

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 7/20 0.42
PTGS1 P23219 1/20 0.39
GSTK1 Q9Y2Q3 1/20 0.39
GLO1 Q04760 1/20 0.37
NPY4R P50391 8/20 0.37
NPY5R Q15761 7/20 0.37
NPY1R P25929 6/20 0.37
NPY2R P49146 4/20 0.37
SIRT6 Q8N6T7 1/20 0.34
SIRT1 Q96EB6 1/20 0.34

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
SCHEMBL29590376 1.00 QRFPR (0.42) QRFPRPTGS1GSTK1GLO1NPY4R
SCHEMBL30997463 0.99 QRFPR (0.41) QRFPRPTGS1GSTK1GLO1NPY4R
SCHEMBL29591850 0.96 QRFPR (0.39) QRFPRPTGS1GSTK1GLO1NPY4R
SCHEMBL29630453 0.95 PTGS1 (0.39) QRFPRPTGS1GSTK1GLO1NPY4R
SCHEMBL29354257 0.94 PTGS1 (0.41) QRFPRPTGS1GSTK1GLO1NPY4R
SCHEMBL30373025 0.93 QRFPR (0.41) QRFPRPTGS1GSTK1GLO1NPY4R
SCHEMBL30372279 0.93 QRFPR (0.41) QRFPRPTGS1GSTK1GLO1NPY4R
SCHEMBL31480014 0.92 QRFPR (0.49) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL29590856 0.92 QRFPR (0.49) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL21961850 0.92 ITGB3 (0.40) QRFPRPTGS1GSTK1GLO1NPY4R

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