SCHEMBL526759

SCHEMBL526759

COC(=O)CCN1CCc2cc(CC(C)[N+](=O)[O-])cc(C(N)=O)c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 19/20 0.48
ADRA1A P35348 19/20 0.48
ADRA1B P35368 19/20 0.48
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
ADRB2 P07550 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
PTGS1 P23219 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR7 P34969 1/20 0.43
HRH1 P35367 1/20 0.43

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
SCHEMBL16166129 0.84 ADRA1D (0.50) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL526176 0.84 MAPT (0.48) ADRA1DADRA1AADRA1BNPC1MAPT
SCHEMBL525720 0.81 ADRA1D (0.45) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL10182835 0.75 ADRA1D (0.49) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL10064583 0.73 ADRA1D (0.56) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL526254 0.72 NOTUM (0.38) ADRA1DADRA1AADRA1BNPC1MAPT
SCHEMBL12505326 0.72 MAPT (0.38) ADRA1DADRA1AADRA1BNPC1MAPT
SCHEMBL7906301 0.71 ADRA1D (0.63) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL19730570 0.71 ADRA1D (0.63) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL15061753 0.69 ADRA1D (0.56) ADRA1DADRA1AADRA1BADRB2HTR1A

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