SCHEMBL22508731

SCHEMBL22508731

[N-]=[N+]=NCCC(CN)C(=O)NCCCC[C@H](N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OTC P00480 1/20 0.44
▸ GSR P00390 1/20 0.41
▸ GNAI3 P08754 1/20 0.40
▸ GNAO1 P09471 1/20 0.40
▸ GNAI1 P63096 1/20 0.40
▸ DDAH1 O94760 3/20 0.39
▸ DPP7 Q9UHL4 2/20 0.38
▸ NOS2 P35228 6/20 0.38
▸ NOS1 P29475 4/20 0.38
▸ NOS3 P29474 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ NOD1 Q9Y239 1/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ RRM1 P23921 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
SCHEMBL16447289 0.87 DPP7 (0.49) OTCGSRGNAI3GNAO1GNAI1
SCHEMBL20178598 0.87 DPP7 (0.49) OTCGSRGNAI3GNAO1GNAI1
SCHEMBL20178595 0.80 OTC (0.46) OTCGSRDDAH1NOS2NOS1
SCHEMBL16446596 0.80 OTC (0.46) OTCGSRDDAH1NOS2NOS1
SCHEMBL15618245 0.79 OTC (0.51) OTCGSRDDAH1NOS2NOS1
SCHEMBL15483719 0.77 OTC (0.50) OTCGSRDDAH1NOS2NOS1
SCHEMBL13464207 0.77 OTC (0.52) OTCGSRDDAH1NOS2NOS1
SCHEMBL22691090 0.77 OTC (0.52) OTCGSRDDAH1NOS2NOS1
SCHEMBL13445977 0.77 OTC (0.52) OTCGSRDDAH1NOS2NOS1
SCHEMBL15618211 0.76 OTC (0.49) OTCGSRDDAH1NOS2NOS1

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-3030545-B1 AMINO ACID DERIVATIVES MEDIMMUNE LTD (GB) 2020-10-07 — — EP disclosed
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