SCHEMBL14040076

SCHEMBL14040076

CCOc1ccccc1OCCN[C@H](CSC)Cc1ccc(C)c([SH](=O)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 6/20 0.44
ADRA1A P35348 6/20 0.44
ADRA1B P35368 6/20 0.44
HTR1A P08908 3/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44
SIGMAR1 Q99720 10/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL13633242 0.77 ADRA1D (0.52) ADRA1DADRA1AADRA1BHTR1AADRB2
SCHEMBL13985899 0.76 ADRA1D (0.70) ADRA1DADRA1AADRA1BHTR1AADRB2
SCHEMBL4357336 0.75 ADRA1A (0.77) ADRA1DADRA1AADRA1BHTR1AADRB2
SCHEMBL13623722 0.73 ADRA1D (0.50) ADRA1DADRA1AADRA1BHTR1AADRB2
SCHEMBL2752970 0.72 ADRA1D (0.62) ADRA1DADRA1AADRA1BHTR1AADRB2
SCHEMBL14039795 0.72 ADRA1D (0.47) ADRA1DADRA1AADRA1BHTR1AADRB2
SCHEMBL12453523 0.68 ADRA1A (0.80) ADRA1DADRA1AADRA1BHTR1AADRB2
SCHEMBL9416164 0.67 ADRA1A (0.62) ADRA1DADRA1AADRA1BHTR1AADRB2
SCHEMBL14533984 0.66 ADRA1A (0.79) ADRA1DADRA1AADRA1BHTR1AADRB2
Hydrochloric Acid SCHEMBL9126140 0.66 ADRA1A (0.61) ADRA1DADRA1AADRA1BHTR1AADRB2

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
EP-1697316-B1 NOVEL INTERMEDIATES FOR THE SYNTHESIS OF (R)-TAMSULOSIN AND OF ITS PHARMACEUTICALLY ACCEPTABLE SALTS AND PROCESS FOR THEIR PREPARATION PROD CHIM AUXILIAIRES ET DE SY (FR) 2008-10-08 EP disclosed