SCHEMBL16656663

SCHEMBL16656663

CNCC(=O)N[C@H](Cc1cnc[nH]1)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 3/20 0.50
▸ ICAM1 P05362 3/20 0.50
▸ ITGAL P20701 3/20 0.50
▸ SLC6A5 Q9Y345 1/20 0.50
▸ SLC15A2 Q16348 1/20 0.46
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CYP3A4 P08684 2/20 0.44
▸ SLC7A5 Q01650 1/20 0.44
▸ QPCT Q16769 1/20 0.43
▸ QPCTL Q9NXS2 1/20 0.43
▸ REN P00797 1/20 0.42
▸ HRH4 Q9H3N8 4/20 0.42
▸ HRH3 Q9Y5N1 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL23312951 0.85 SLC15A2 (0.61) ITGB2ICAM1ITGALSLC6A5SLC15A2
SCHEMBL15080457 0.84 REN (0.54) ITGB2ICAM1ITGALSLC6A5SLC15A2
SCHEMBL15119370 0.83 CYP3A4 (0.51) ITGB2ICAM1ITGALSLC6A5CA1
SCHEMBL13979576 0.83 CYP3A4 (0.51) ITGB2ICAM1ITGALSLC6A5CA1
SCHEMBL1641647 0.83 CYP3A4 (0.51) ITGB2ICAM1ITGALSLC6A5CA1
SCHEMBL16364168 0.83 CYP3A4 (0.54) ITGB2ICAM1ITGALSLC6A5SLC15A2
SCHEMBL13187470 0.81 ITGB2 (0.49) ITGB2ICAM1ITGALSLC6A5CA1
SCHEMBL18676311 0.79 SLC6A5 (0.59) ITGB2ICAM1ITGALSLC6A5SLC15A2
SCHEMBL17697368 0.79 CYP3A4 (0.54) ITGB2ICAM1ITGALSLC6A5SLC15A2
SCHEMBL18748750 0.77 CYP3A4 (0.49) ITGB2ICAM1ITGALSLC6A5CA1

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
US-9012603-B2 Peptides that block the binding of IgG to FcRn BIOGEN IDEC HEMOPHILIA INC. (US) 2015-04-21 — — US disclosed
Send feedback