SCHEMBL4599236

SCHEMBL4599236

CCOC(=O)[C@H](CCCNC(=N)N)NO

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CAD P27708 1/20 0.39
▸ KMT2A Q03164 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ NPY4R P50391 7/20 0.36
▸ NPY1R P25929 5/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPY2R P49146 4/20 0.33
▸ NPY5R Q15761 4/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ NOD1 Q9Y239 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL27481242 0.88 CAD (0.39) CADKMT2APOLBNPY4RNPY1R
SCHEMBL27554606 0.88 CAD (0.39) CADKMT2APOLBNPY4RNPY1R
SCHEMBL8019370 0.88 CAD (0.39) CADKMT2APOLBNPY4RNPY1R
SCHEMBL8017621 0.87 CAD (0.38) CADKMT2APOLBNPY4RNPY1R
SCHEMBL21879811 0.87 KMT2A (0.42) CADKMT2APOLBNPY4RNPY1R
SCHEMBL14420415 0.85 CAD (0.37) CADKMT2APOLBNPY4RNPY1R
SCHEMBL5812133 0.85 SIRT6 (0.43) CADKMT2APOLBNPY4RNPY1R
SCHEMBL5812127 0.85 SIRT6 (0.43) CADKMT2APOLBNPY4RNPY1R
Hydrochloric Acid SCHEMBL3700024 0.84 NPY4R (0.36) CADKMT2APOLBNPY4RNPY1R
SCHEMBL26017775 0.84 KMT2A (0.47) CADKMT2APOLBNPY4RNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082112-B1 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION NITROMED INC (US) 2008-04-09 — — EP disclosed
EP-1242068-A4 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION NITROMED INC (US) 2007-04-25 — — EP disclosed
EP-1242068-A1 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION Nitromed, Inc. (US) 2002-09-25 — — EP disclosed
US-6436997-B1 Endogenous nitric oxide synthesis under conditions of low oxygen tension NITROMED, INC. 2002-08-20 — — US disclosed
US-6277884-B1 Treatment of sexual dysfunction with N-hydroxyguanidine compounds NITROMED, INC. 2001-08-21 — — US disclosed
WO-2001032167-A1 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION NITROMED, INC. (US) 2001-05-10 — — WO disclosed
US-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 — — US disclosed
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