SCHEMBL15468396

SCHEMBL15468396

N=C(N)NCCC(N)C(=O)N1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 14/20 0.36
DPP4 P27487 4/20 0.35
F2 P00734 2/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
PLG P00747 2/20 0.32
PLAU P00749 2/20 0.32
F10 P00742 1/20 0.32
ST14 Q9Y5Y6 1/20 0.32

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
SCHEMBL24322731 0.92 DPP8 (0.38) DPP7DPP4F2DPP8DPP9
SCHEMBL24322781 0.77 DPP8 (0.44) DPP7DPP4DPP8DPP9
SCHEMBL10730573 0.77 DPP8 (0.44) DPP7DPP4DPP8DPP9
SCHEMBL6820644 0.76 DPP7 (0.56) DPP7DPP4DPP8DPP9CA12
SCHEMBL6823435 0.76 DPP7 (0.56) DPP7DPP4DPP8DPP9CA12
SCHEMBL19309525 0.75 ITGB3 (0.41) CA12CA1CA2CA9
SCHEMBL24322721 0.74 GAA (0.47) DPP7DPP4DPP8DPP9
SCHEMBL24324302 0.74 DPP7 (0.38) DPP7DPP4DPP8DPP9
SCHEMBL11534938 0.74 GAA (0.47) DPP7DPP4DPP8DPP9
SCHEMBL27296297 0.74 ARG1 (0.35) DPP7DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046393-B1 CONTROLLED RELEASE OF PHENOLIC OPIOIDS SIGNATURE THERAPEUTICS INC (US) 2014-02-12 EP disclosed