SCHEMBL20178588

SCHEMBL20178588

[N-]=[N+]=NCCOC(=O)NCCSCC(N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 5/20 0.41
▸ NOS1 P29475 3/20 0.41
▸ NOS3 P29474 2/20 0.41
▸ ARG1 P05089 1/20 0.38
▸ ARG2 P78540 1/20 0.38
▸ SLC1A3 P43003 1/20 0.32
▸ SLC1A1 P43005 1/20 0.32
▸ BHMT Q93088 1/20 0.30

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
SCHEMBL16446582 1.00 NOS2 (0.41) NOS2NOS1NOS3ARG1ARG2
SCHEMBL17852377 1.00 NOS2 (0.41) NOS2NOS1NOS3ARG1ARG2
SCHEMBL17852379 0.90 NOS2 (0.41) NOS2NOS1NOS3ARG1ARG2
SCHEMBL17840976 0.90 NOS2 (0.41) NOS2NOS1NOS3ARG1ARG2
SCHEMBL17852276 0.82 NOS2 (0.44) NOS2NOS1NOS3ARG1ARG2
SCHEMBL28260909 0.82 NOS2 (0.44) NOS2NOS1NOS3ARG1ARG2
SCHEMBL16446954 0.82 NOS2 (0.44) NOS2NOS1NOS3ARG1ARG2
SCHEMBL20192745 0.81 ARG1 (0.44) NOS2NOS1NOS3ARG1ARG2
SCHEMBL20178606 0.81 OTC (0.46) NOS2NOS1NOS3SLC1A3SLC1A1
SCHEMBL16446997 0.81 OTC (0.46) NOS2NOS1NOS3SLC1A3SLC1A1

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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