SCHEMBL8548653

SCHEMBL8548653

O=C1CCOC(CC[N+](=O)[O-])C1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38

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
SCHEMBL6293625 0.75
SCHEMBL9228942 0.74 KDM4E (0.35)
SCHEMBL28326283 0.71
SCHEMBL17318344 0.71 KEAP1 (0.39) NOS3NOS1NOS2
SCHEMBL3962816 0.70 EPHX1 (0.53)
SCHEMBL15496325 0.70
SCHEMBL5837947 0.70
SCHEMBL5799232 0.69 NOS3 (0.44) NOS3NOS1NOS2
SCHEMBL11361936 0.68
SCHEMBL15683024 0.67 DRD4 (0.49)

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-0824523-A1 NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES G.D. Searle & Co. (US) 1998-02-25 EP disclosed
WO-1996035677-A1 NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES G.D. SEARLE & CO. (US) 1996-11-14 WO disclosed