SCHEMBL8344960

SCHEMBL8344960

N#CCC1(C[N+](=O)O)CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL7597514 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5391383 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7590911 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7592244 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL2155471 0.76 ALDH1A1 (0.38) ALDH1A1
SCHEMBL2154171 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15160716 0.69
SCHEMBL31450428 0.69 ALDH1A1 (0.43) ALDH1A1
SCHEMBL8345151 0.68
SCHEMBL2888506 0.66

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-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO disclosed