SCHEMBL6844633

SCHEMBL6844633

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP8 Q6V1X1 2/20 0.46
▸ DPP9 Q86TI2 2/20 0.46
▸ DPP7 Q9UHL4 2/20 0.46
▸ GNAI3 P08754 1/20 0.46
▸ GNAO1 P09471 1/20 0.46
▸ GNAI1 P63096 1/20 0.46
▸ GSR P00390 1/20 0.43
▸ ERAP2 Q6P179 6/20 0.42
▸ LNPEP Q9UIQ6 4/20 0.42
▸ ERAP1 Q9NZ08 3/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ FOLH1 Q04609 1/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ TLR2 O60603 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
SCHEMBL13496274 0.84 ERAP2 (0.54) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL503846 0.84 DPP8 (0.43) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL7747523 0.83 DPP7 (0.58) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL503847 0.83 DPP7 (0.58) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL7570529 0.82 DPP8 (0.51) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL2734207 0.82 ERAP2 (0.52) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL2887132 0.80 GSR (0.55) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL29462129 0.80 DPP8 (0.49) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL29805332 0.80 DPP8 (0.49) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL29740503 0.80 DPP8 (0.49) DPP8DPP9DPP7GNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040002465-A1 Polyene macrolide derivatives, use for vectoring molecules UNIVERSITE PIERRE ET MARIE CURIE (FR) 2004-01-01 — — US disclosed
EP-1067969-B1 POLYENE MACROLIDE DERIVATIVES, USE FOR VECTORING MOLECULES UNIV PARIS CURIE (FR) 2003-07-23 — — EP disclosed
EP-1067969-A1 POLYENE MACROLIDE DERIVATIVES, USE FOR VECTORING MOLECULES UNIVERSITE PIERRE ET MARIE CURIE PARIS VI (FR) 2001-01-17 — — EP disclosed
WO-1999051274-A1 POLYENE MACROLIDE DERIVATIVES, USE FOR VECTORING MOLECULES UNIVERSITE PIERRE ET MARIE CURIE (PARIS VI) (FR) 1999-10-14 — — WO disclosed
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