SCHEMBL8821850

SCHEMBL8821850

CSC(=O)ONCCCC[C@H](N)C(=O)OCC=N

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 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
SCHEMBL8821862 0.84 DPP7 (0.31) DPP7GNAI3GNAO1GNAI1
SCHEMBL7220182 0.80 DPP7 (0.32) DPP7GNAI3GNAO1GNAI1NOS3
SCHEMBL2302818 0.75 GSR (0.50) DPP7GNAI3GNAO1GNAI1
SCHEMBL2410023 0.73 GSR (0.42) DPP7GNAI3GNAO1GNAI1
SCHEMBL2410019 0.73 GSR (0.42) DPP7GNAI3GNAO1GNAI1
SCHEMBL8821895 0.71 DPP8 (0.35) DPP7
SCHEMBL8821858 0.70 GNAI3 (0.32) GNAI3GNAO1GNAI1
SCHEMBL7974904 0.70 DPP7 (0.35) DPP7GNAI3GNAO1GNAI1
SCHEMBL27009299 0.65 DPP7 (0.42) DPP7GNAI3GNAO1GNAI1
SCHEMBL7220597 0.65 NOS3 (0.31) NOS3NOS1

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