SCHEMBL526254

SCHEMBL526254

CC(Cc1cc(C=O)c2c(c1)CCN2CCC(=O)OCc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
ADRA1D P25100 5/20 0.38
ADRA1A P35348 4/20 0.38
ADRA1B P35368 4/20 0.38
TMEM97 Q5BJF2 6/20 0.35
SIGMAR1 Q99720 6/20 0.35
SLC6A2 P23975 2/20 0.35
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35
HTR1A P08908 1/20 0.35
CHRM5 P08912 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR1E P28566 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL12505326 0.86 MAPT (0.38) NOTUMADRA1DADRA1AADRA1BTMEM97
SCHEMBL525875 0.84 MAPT (0.46) NOTUMADRA1DTMEM97SIGMAR1SLC6A2
SCHEMBL16422047 0.79 ADRA1D (0.35) ADRA1DADRA1AADRA1BHRH1HTR1A
SCHEMBL18902664 0.79 ADRA1D (0.40) ADRA1DADRA1AADRA1BHRH1HTR1A
SCHEMBL12816693 0.79
SCHEMBL17516018 0.78 ADRA1D (0.32) ADRA1DADRA1AADRA1B
SCHEMBL16166306 0.77 ADRA1D (0.31) ADRA1DADRA1AADRA1B
SCHEMBL12505323 0.76 POLB (0.32) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL526176 0.71 MAPT (0.48) ADRA1DADRA1AADRA1BNPC1RAB9A
SCHEMBL526097 0.71 NOTUM (0.49) NOTUMADRA1DTMEM97SIGMAR1SLC6A2

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-2012014186-A1 PROCESS FOR THE PREPARATION OF SILODOSIN AND ITS NOVEL INTERMEDIATES RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed