SCHEMBL29630413

SCHEMBL29630413

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
GSTK1 Q9Y2Q3 1/20 0.43
GLO1 Q04760 1/20 0.41
NPY4R P50391 14/20 0.37
NPY1R P25929 9/20 0.37
NPY5R Q15761 8/20 0.37
NPY2R P49146 5/20 0.37
QRFPR Q96P65 1/20 0.37
NOD1 Q9Y239 1/20 0.35

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
SCHEMBL19791172 0.93 PTGS1 (0.41) PTGS1GSTK1GLO1NPY4RNPY1R
SCHEMBL29655812 0.93 PTGS1 (0.44) PTGS1GSTK1GLO1NPY4RNPY1R
SCHEMBL29533359 0.93 PTGS1 (0.44) PTGS1GSTK1GLO1NPY4RNPY1R
SCHEMBL29655791 0.93 PTGS1 (0.44) PTGS1GSTK1GLO1NPY4RNPY1R
SCHEMBL29655852 0.93 PTGS1 (0.44) PTGS1GSTK1GLO1NPY4RNPY1R
SCHEMBL29655840 0.93 PTGS1 (0.44) PTGS1GSTK1GLO1NPY4RNPY1R
SCHEMBL14027228 0.92 NPY4R (0.40) PTGS1GSTK1GLO1NPY4RNPY1R
SCHEMBL29630523 0.92 NPY4R (0.40) PTGS1GSTK1GLO1NPY4RNPY1R
SCHEMBL29555348 0.91 NPY4R (0.42) PTGS1GSTK1GLO1NPY4RNPY1R
SCHEMBL29590332 0.91 PTGS1 (0.43) PTGS1GSTK1GLO1NPY4RNPY1R

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