SCHEMBL20178598

SCHEMBL20178598

[N-]=[N+]=NCCC(N)C(=O)NCCCCC(N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.49
▸ GNAI3 P08754 1/20 0.47
▸ GNAO1 P09471 1/20 0.47
▸ GNAI1 P63096 1/20 0.47
▸ NOD1 Q9Y239 1/20 0.45
▸ OTC P00480 1/20 0.44
▸ DDAH1 O94760 3/20 0.42
▸ RRM1 P23921 1/20 0.42
▸ GSR P00390 1/20 0.41
▸ NOS2 P35228 5/20 0.41
▸ NOS1 P29475 4/20 0.41
▸ NOS3 P29474 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ BLM P54132 1/20 0.40

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
SCHEMBL16447289 1.00 DPP7 (0.49) DPP7GNAI3GNAO1GNAI1NOD1
SCHEMBL22508731 0.87 OTC (0.44) DPP7GNAI3GNAO1GNAI1NOD1
SCHEMBL25212167 0.86 DPP7 (0.49) DPP7GNAI3GNAO1GNAI1NOD1
SCHEMBL25267071 0.86 DPP7 (0.49) DPP7GNAI3GNAO1GNAI1NOD1
SCHEMBL20178595 0.84 OTC (0.46) OTCDDAH1GSRNOS2NOS1
SCHEMBL16446596 0.84 OTC (0.46) OTCDDAH1GSRNOS2NOS1
SCHEMBL15618245 0.83 OTC (0.51) NOD1OTCDDAH1GSRNOS2
SCHEMBL15483719 0.82 OTC (0.50) NOD1OTCDDAH1GSRNOS2
SCHEMBL13464207 0.81 OTC (0.52) NOD1OTCDDAH1GSRNOS2
SCHEMBL22691090 0.81 OTC (0.52) NOD1OTCDDAH1GSRNOS2

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-9981908-B2 Amino acid derivatives MEDIMMUNE LIMITED (GB) 2018-05-29 — — US disclosed
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