SCHEMBL3909526

SCHEMBL3909526

NCCCC[C@H](N)C(=O)OCC(O)CCN

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.50
▸ DPP7 Q9UHL4 9/20 0.39
▸ DPP9 Q86TI2 6/20 0.39
▸ DPP8 Q6V1X1 5/20 0.39
▸ GNAI3 P08754 1/20 0.37
▸ GNAO1 P09471 1/20 0.37
▸ GNAI1 P63096 1/20 0.37
▸ DPP4 P27487 3/20 0.36
▸ RNPEP Q9H4A4 1/20 0.36
▸ CPB2 Q96IY4 2/20 0.36
▸ TLR2 O60603 2/20 0.35
▸ FAP Q12884 1/20 0.33

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
SCHEMBL6562358 1.00 GSR (0.50) GSRDPP7DPP9DPP8GNAI3
SCHEMBL6562360 1.00 GSR (0.50) GSRDPP7DPP9DPP8GNAI3
SCHEMBL22209237 0.88 GSR (0.48) GSRDPP7DPP9DPP8GNAI3
SCHEMBL17843610 0.88 GSR (0.48) GSRDPP7DPP9DPP8GNAI3
SCHEMBL29194171 0.82 GSR (0.50) GSRDPP7DPP9DPP8GNAI3
SCHEMBL1168273 0.81 GSR (0.42) GSRDPP7DPP9DPP8GNAI3
SCHEMBL9780155 0.80 GSR (0.68) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL2821897 0.80 GSR (0.68) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL19547630 0.80 GSR (0.52) GSRDPP7DPP9DPP8GNAI3
SCHEMBL23766628 0.79 GSR (0.50) GSRDPP7DPP9DPP8GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021469-A2 PEPTIDE LIBRARY Universität für Bodenkultur Wien (AT) 2009-02-11 — — EP disclosed
WO-2007109823-A2 PEPTIDE LIBRARY UNIVERSITÄT FÜR BODENKULTUR WIEN (AT) 2007-10-04 — — WO disclosed
WO-1994015596-A1 COMPOSITIONS AND METHODS FOR INHIBITING DEOXYHYPUSINE SYNTHASE AND THE GROWTH OF CELLS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-07-21 — — WO disclosed
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