SCHEMBL17685171

SCHEMBL17685171

CN(c1ccccc1)[C@@H](CCCCN)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPOR P19235 3/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ F2 P00734 6/20 0.41
▸ F10 P00742 2/20 0.39
▸ PLG P00747 2/20 0.38
▸ PLAT P00750 2/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ CPB2 Q96IY4 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ MMP2 P08253 2/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ ACE P12821 1/20 0.37
▸ GSR P00390 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
SCHEMBL29583478 0.83 ADRA2C (0.42) EPORADRA2CF2PLGPLAT
SCHEMBL17685101 0.76 SLC6A2 (0.41) SLC6A2SLC6A4MMP2MMP9
SCHEMBL20414864 0.75 GSR (0.42) CPB2GSR
SCHEMBL20411601 0.75 GSR (0.42) CPB2GSR
SCHEMBL20411610 0.75 GSR (0.42) CPB2GSR
SCHEMBL2280438 0.75 GSR (0.42) CPB2GSR
SCHEMBL20411609 0.75 GSR (0.42) CPB2GSR
SCHEMBL20411596 0.75 GSR (0.42) CPB2GSR
SCHEMBL20602575 0.74 NPC1 (0.46) PRSS1
SCHEMBL28130586 0.74 SLC6A2 (0.51) SLC6A2SLC6A4

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-2658982-B1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS HOFFMANN LA ROCHE (CH) 2016-04-20 — — EP disclosed
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