SCHEMBL8821871

SCHEMBL8821871

NCCNC(=O)OC(=O)[C@@H](N)CCCCNCC=NO

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
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
SCHEMBL7227344 0.78 GNAI3 (0.40) GNAI3GNAO1GNAI1DPP7
Hydrochloric Acid SCHEMBL7219533 0.77 NOD1 (0.38) GNAI3GNAO1GNAI1DPP7
SCHEMBL8821853 0.76 GSR (0.46)
Hydrochloric Acid SCHEMBL7218897 0.74 GSR (0.44)
SCHEMBL15516720 0.66 MAOA (0.46) GNAI3GNAO1GNAI1DPP7
Hydrochloric Acid SCHEMBL8709517 0.65 GSR (0.46) GNAI3GNAO1GNAI1DPP7
SCHEMBL7974904 0.64 DPP7 (0.35) GNAI3GNAO1GNAI1DPP7
SCHEMBL18924756 0.64 GSR (0.53)
SCHEMBL3393527 0.64 DPP7 (0.35) GNAI3GNAO1GNAI1DPP7
SCHEMBL20240364 0.63 GSR (0.61) GNAI3GNAO1GNAI1DPP7

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-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 WO disclosed