SCHEMBL7977238

SCHEMBL7977238

N=CCNCCSC[C@H](N)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.33
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33

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
SCHEMBL5509931 0.87 ARG1 (0.47) NOS2NOS1NOS3ARG1ARG2
SCHEMBL9436829 0.87 ARG1 (0.47) NOS2NOS1NOS3ARG1ARG2
Hydrochloric Acid SCHEMBL8932134 0.86 ARG1 (0.46) NOS2NOS1NOS3ARG1ARG2
SCHEMBL537841 0.76 BHMT (0.50) NOS2NOS1NOS3
SCHEMBL537840 0.76 BHMT (0.50) NOS2NOS1NOS3
SCHEMBL6655681 0.76 BHMT (0.50) NOS2NOS1NOS3
SCHEMBL6130709 0.73 DPP7 (0.34) NOS2NOS1NOS3ARG1ARG2
Hydrochloric Acid SCHEMBL7976942 0.73 SLC1A3 (0.38)
Phosphonic Acid SCHEMBL27587576 0.73 BHMT (0.49) NOS2NOS1NOS3
SCHEMBL7090164 0.72 ACE (0.41)

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
WO-2001005748-A1 OLIGOMERIC AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS MONSANTO COMPANY (US) 2001-01-25 WO disclosed