SCHEMBL28081121

SCHEMBL28081121

CC(C)C(NC(=O)C(N)CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NCC(=O)O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.45
BACE1 P56817 8/20 0.41
CTSD P07339 2/20 0.41
BACE2 Q9Y5Z0 2/20 0.41
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
FURIN P09958 3/20 0.39
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
PRSS1 P07477 1/20 0.39

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
SCHEMBL28081099 0.96 OPRD1 (0.43) OPRD1BACE1CTSDBACE2FURIN
SCHEMBL30242247 0.88 GNPAT (0.49) BACE1CTSDBACE2
SCHEMBL29776755 0.87 GSR (0.44) BACE1CTSDBACE2DPP8DPP9
SCHEMBL31110645 0.87 ENPEP (0.46) BACE1
SCHEMBL31703065 0.87 GSR (0.45) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL29368320 0.85 BACE1 (0.51) BACE1CTSDBACE2
SCHEMBL31406797 0.85 BACE1 (0.51) BACE1CTSDBACE2
SCHEMBL30272486 0.85 FURIN (0.42) OPRD1BACE1CTSDFURINPRSS1
SCHEMBL29870202 0.84 BACE1 (0.49) OPRD1BACE1CTSDBACE2DPP8
SCHEMBL9059173 0.84 BACE1 (0.46) OPRD1BACE1CTSDBACE2

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
CN-105683390-A HbA1c measurement method using amadoriase acting on glycated peptides 龟甲万株式会社 2016-06-15 CN claimed
CN-105683390-A HbA1c measurement method using amadoriase acting on glycated peptides 龟甲万株式会社 2016-06-15 CN disclosed