SCHEMBL11245540

SCHEMBL11245540

CCCN1CCc2cc(OC)c(OCc3ccccc3)cc2C1Cc1cc(OC)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.50
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
CHRNA7 P36544 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL11706207 0.90 PDE4D (0.53) PDE4DCHRNA7MEN1ALDH1A1KMT2A
SCHEMBL11241355 0.83 HCRTR1 (0.60) HCRTR1HCRTR2ALDH1A1
SCHEMBL14740318 0.78 CHRNA7 (0.58) HCRTR1HCRTR2CHRNA7
SCHEMBL29059153 0.74 HCRTR1 (0.62) HCRTR1HCRTR2ALDH1A1
SCHEMBL13232384 0.73 LMNA (0.73) HCRTR1HCRTR2ALDH1A1
SCHEMBL11638212 0.73 LMNA (0.73) HCRTR1HCRTR2ALDH1A1
SCHEMBL18402786 0.72 MEN1 (0.57) MEN1ALDH1A1KMT2A
SCHEMBL9585990 0.72 LMNA (0.79) ALDH1A1
SCHEMBL30585089 0.72 LMNA (0.79) ALDH1A1
SCHEMBL13224057 0.71 ALDH1A1 (0.62) MEN1ALDH1A1KMT2A

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
US-4309542-A WITH A TRIMETHYLPHENYLAMMONIUM BASE WARNER-LAMBERT COMPANY (US) 1982-01-05 US disclosed