SCHEMBL7776928

SCHEMBL7776928

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 3/20 0.37
▸ NOS3 P29474 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ DPP8 Q6V1X1 2/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ DPP7 Q9UHL4 3/20 0.36
▸ NPY4R P50391 5/20 0.35
▸ NPY1R P25929 3/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ GNAI3 P08754 1/20 0.35
▸ GNAO1 P09471 1/20 0.35
▸ GNAI1 P63096 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CA12 O43570 3/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ CA9 Q16790 3/20 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
SCHEMBL3203673 0.96 NOS1 (0.38) NOS1NOS3NOS2DPP8DPP9
SCHEMBL27681071 0.94 NOS1 (0.37) NOS1NOS3NOS2DPP8DPP9
SCHEMBL6130812 0.80 DPP7 (0.40) DPP8DPP7NPY4RNPY1RALOX15
SCHEMBL941102 0.80 NPY4R (0.44) NOS1NOS3NOS2DPP7NPY4R
SCHEMBL4094683 0.80 NPY4R (0.44) NOS1NOS3NOS2DPP7NPY4R
SCHEMBL6917505 0.80 DPP7 (0.40) DPP8DPP7NPY4RNPY1RALOX15
SCHEMBL4598754 0.80 NOS1 (0.37) NOS1NOS3NOS2DPP8DPP9
Hydrochloric Acid SCHEMBL940707 0.79 NPY4R (0.43) NOS1NOS3NOS2DPP7NPY4R
SCHEMBL13396344 0.79 CA12 (0.36) NOS1NOS3NOS2DPP8DPP9
SCHEMBL13396391 0.79 NOS1 (0.34) NOS1NOS3NOS2DPP8DPP9

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
EP-1140854-A2 METHODS FOR THE SYNTHESIS OF ALPHA-HYDROXY-BETA-AMINO ACID AND AMIDE DERIVATIVES CORVAS INTERNATIONAL, INC. (US) 2001-10-10 — — EP disclosed
WO-2000035868-A2 METHODS FOR THE SYNTHESIS OF ALPHA-HYDROXY-BETA-AMINO ACID AND AMIDE DERIVATIVES CORVAS INTERNATIONAL, INC. (US) 2000-06-22 — — WO disclosed
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