SCHEMBL6980573

SCHEMBL6980573

N=C1CCCCC(CC[N+](=O)[O-])N1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44

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
SCHEMBL6798960 0.82 NOS3 (0.45) NOS3NOS1NOS2
SCHEMBL6976741 0.75 NOS3 (0.39) NOS3NOS1NOS2
SCHEMBL8550044 0.75 NOS3 (0.47) NOS3NOS1NOS2
SCHEMBL7620769 0.74
SCHEMBL7618513 0.74 NOS1 (0.37) NOS3NOS1NOS2
SCHEMBL8546560 0.74 ALDH1A1 (0.42)
SCHEMBL7370736 0.72 NOS3 (0.35) NOS3NOS1NOS2
SCHEMBL6972927 0.72 SMN1; SMN2 (0.43)
SCHEMBL7628313 0.71 NOS1 (0.40) NOS3NOS1NOS2
SCHEMBL6977209 0.71 HRH3 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed