SCHEMBL2295372

SCHEMBL2295372

CC(OC(=O)CCCCCO[N+](=O)[O-])OC(=O)NCC1(CC(=O)O)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 1/20 0.31

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
SCHEMBL12426621 0.84 SLC18A2 (0.32) SLC18A2
SCHEMBL13016826 0.81 ALDH1A1 (0.38) SLC18A2
SCHEMBL25774 0.80 ALDH1A1 (0.37) SLC18A2
SCHEMBL25397 0.79 ALDH1A1 (0.40) SLC18A2
SCHEMBL2295369 0.79
SCHEMBL2300286 0.77 USP2 (0.33) SLC18A2
SCHEMBL2300281 0.77 USP2 (0.33) SLC18A2
SCHEMBL3117086 0.77 ALDH1A1 (0.38)
SCHEMBL24850 0.75 ALDH1A1 (0.41) SLC18A2
Gabapentin Enacarbil SCHEMBL977603 0.75 ALDH1A1 (0.41) SLC18A2

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-2011101245-A1 NITRIC OXIDE RELEASING COMPOUNDS FOR THE TREATMENT OF NEUROPATHIC PAIN NICOX S.A. (FR) 2011-08-25 WO disclosed