SCHEMBL29630393

SCHEMBL29630393

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.42
OTC P00480 1/20 0.38
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
PTGS1 P23219 1/20 0.37
GSTK1 Q9Y2Q3 1/20 0.37
NPY4R P50391 6/20 0.36
NPY1R P25929 5/20 0.36
NPY2R P49146 4/20 0.36
NPY5R Q15761 4/20 0.36
RRM1 P23921 1/20 0.36
TERT O14746 2/20 0.35
NOD1 Q9Y239 1/20 0.35
DDAH1 O94760 1/20 0.34
NOS1 P29475 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
SCHEMBL7996638 1.00 DPP7 (0.42) DPP7OTCGNAI3GNAO1GNAI1
SCHEMBL29350570 1.00 DPP7 (0.42) DPP7OTCGNAI3GNAO1GNAI1
SCHEMBL7996643 1.00 DPP7 (0.42) DPP7OTCGNAI3GNAO1GNAI1
SCHEMBL29476574 0.94 DPP7 (0.46) DPP7OTCGNAI3GNAO1GNAI1
SCHEMBL2117673 0.94 DPP7 (0.46) DPP7OTCGNAI3GNAO1GNAI1
SCHEMBL2117664 0.94 DPP7 (0.46) DPP7OTCGNAI3GNAO1GNAI1
SCHEMBL29590332 0.91 PTGS1 (0.43) DPP7PTGS1GSTK1NPY4RNPY1R
SCHEMBL29630345 0.90 NPY4R (0.46) PTGS1GSTK1NPY4RNPY1RNPY2R
SCHEMBL30063856 0.90 NPY4R (0.46) PTGS1GSTK1NPY4RNPY1RNPY2R
SCHEMBL30259956 0.90 DPP7 (0.49) DPP7OTCGNAI3GNAO1GNAI1

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