SCHEMBL13416888

SCHEMBL13416888

N=C(N)NCCCC(N)C(=O)OCCOCCON(O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 5/20 0.33
▸ NPY1R P25929 3/20 0.33
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ NPY2R P49146 2/20 0.31
▸ NPY5R Q15761 2/20 0.31
▸ OTC P00480 1/20 0.30
▸ DPP7 Q9UHL4 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
SCHEMBL13416559 0.90 NOD1 (0.34) NPY4RNPY1RNOS3NOS1NOS2
SCHEMBL13416558 0.90 NPY4R (0.34) NPY4RNPY1RNOS3NOS1NOS2
SCHEMBL14135402 0.88 NOD1 (0.36) NPY4RNPY1RNPY2RNPY5ROTC
SCHEMBL13416563 0.88 NOD1 (0.36) NPY4RNPY1RNPY2RNPY5ROTC
SCHEMBL13416748 0.87 NPY4R (0.33) NPY4RNPY1RNPY2RNPY5ROTC
SCHEMBL13416746 0.86 DPP7 (0.40) NPY4RNPY1RNOS1NPY2RNPY5R
SCHEMBL9741281 0.85 EPHX2 (0.34) NPY4RNPY1RNOS3NOS1NOS2
SCHEMBL8414057 0.82 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5ROTC
SCHEMBL13541443 0.81 NOD1 (0.40) NPY4RNPY1RNPY2RNPY5ROTC
SCHEMBL28718702 0.81 DPP7 (0.39) NPY4RNPY1RNPY2RNPY5ROTC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 — — US disclosed
WO-2008095841-A2 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2008-08-14 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 NPY4R 1635/4885NPY1R 800/4885NOS3 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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