SCHEMBL6135926

SCHEMBL6135926

COc1ccc(CC(C)NCCc2ccccc2)cc1S(N)(=O)=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 6/20 0.73
ADRA1A P35348 6/20 0.73
ADRA1B P35368 6/20 0.73
ADRB2 P07550 1/20 0.69
ADRB1 P08588 1/20 0.69
HTR1A P08908 1/20 0.69
ADRA2A P08913 1/20 0.69
DRD2 P14416 1/20 0.69
ADRA2B P18089 1/20 0.69
ADRA2C P18825 1/20 0.69
HTR2A P28223 1/20 0.69
HTR7 P34969 1/20 0.69
OPRM1 P35372 1/20 0.69
DRD3 P35462 1/20 0.69
HTR2B P41595 1/20 0.69
KCNH2 Q12809 1/20 0.69
SIGMAR1 Q99720 7/20 0.54
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.47

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
SCHEMBL6135925 1.00 ADRA1D (0.73) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL4015652 0.89 ADRA1D (0.58) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL3937924 0.88 ADRA1D (0.69) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL3937930 0.88 ADRA1D (0.69) ADRA1DADRA1AADRA1BADRB2ADRB1
Hydrochloric Acid SCHEMBL3937130 0.87 ADRA1D (0.68) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL30884817 0.86 ADRA1D (0.78) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL14818882 0.86 ADRA1D (0.78) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL16731023 0.85 ADRA1D (0.67) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL6135589 0.85 SIGMAR1 (0.57) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL6135591 0.85 SIGMAR1 (0.57) ADRA1DADRA1AADRA1BADRB2ADRB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111170900-A Preparation method of tamsulosin impurity with high optical purity 珠海润都制药股份有限公司 2020-05-19 CN disclosed
EP-1501793-A1 TAMSULOSIN DERIVATIVE RANBAXY LABORATORIES, LTD. (IN) 2005-02-02 EP disclosed
WO-2003093227-A1 TAMSULOSIN DERIVATIVE RANBAXY LABORATORIES LIMITED (IN) 2003-11-13 WO disclosed