SCHEMBL29630497

SCHEMBL29630497

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 11/20 0.44
NPY1R P25929 6/20 0.44
NPY2R P49146 4/20 0.44
NPY5R Q15761 4/20 0.44
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
NMT2 O60551 2/20 0.38
NMT1 P30419 2/20 0.38
TERT O14746 1/20 0.38
PTGS1 P23219 1/20 0.37
GSTK1 Q9Y2Q3 1/20 0.37
OPRL1 P41146 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
SCHEMBL30538326 0.96 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RGNAI3
SCHEMBL29569085 0.94 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5RGNAI3
SCHEMBL29569023 0.94 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5RGNAI3
SCHEMBL29569354 0.94 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5RGNAI3
SCHEMBL29568785 0.94 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5RGNAI3
SCHEMBL29630345 0.94 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5RPTGS1
SCHEMBL30063856 0.94 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5RPTGS1
SCHEMBL30372267 0.93 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RPTGS1
SCHEMBL30372053 0.93 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RPTGS1
SCHEMBL25870078 0.93 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5RNMT2

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