SCHEMBL9015071

SCHEMBL9015071

NCCCCCC(N)OC(=O)[C@@H](N)CCCCN

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.53
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
CPB2 Q96IY4 4/20 0.41
RNPEP Q9H4A4 1/20 0.38
DPP7 Q9UHL4 7/20 0.38
DPP8 Q6V1X1 3/20 0.38
DPP9 Q86TI2 3/20 0.38
DPP4 P27487 1/20 0.38
TLR2 O60603 2/20 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
SCHEMBL2047412 0.98 GSR (0.55) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL1010091 0.92 GSR (0.47) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL23515277 0.85 GSR (0.50) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL7743513 0.85 GSR (0.44) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL4204273 0.84 GSR (0.57) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL23457451 0.84 GSR (0.57) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL4270854 0.82 GSR (0.45) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL2230619 0.82 GSR (0.48) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL28063000 0.82 GSR (0.48) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL25186742 0.82 GSR (0.48) GSRGNAI3GNAO1GNAI1CPB2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0462669-B1 Amine enriched proteins JOHNSON & JOHNSON CLIN DIAG (US) 1996-11-13 EP claimed
EP-0462669-A2 Amine enriched proteins Johnson & Johnson Clinical Diagnostics, Inc. (US) 1991-12-27 EP claimed
EP-0462669-B1 Amine enriched proteins JOHNSON & JOHNSON CLIN DIAG (US) 1996-11-13 EP disclosed
US-5162219-A Reacting with amide bond forming agent in presence of polyamine; labels in immunoassay EASTMAN KODAK COMPANY (US) 1992-11-10 US disclosed
EP-0462669-A2 Amine enriched proteins Johnson & Johnson Clinical Diagnostics, Inc. (US) 1991-12-27 EP disclosed