SCHEMBL13633242

SCHEMBL13633242

CCOc1ccccc1OCCN[C@H](CSC)Cc1ccc(OC)c(S)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.52
ADRA1A P35348 5/20 0.52
ADRA1B P35368 5/20 0.52
ADRB2 P07550 3/20 0.52
HTR1A P08908 2/20 0.52
ADRB1 P08588 1/20 0.52
ADRA2A P08913 1/20 0.52
DRD2 P14416 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
HTR2A P28223 1/20 0.52
HTR7 P34969 1/20 0.52
OPRM1 P35372 1/20 0.52
DRD3 P35462 1/20 0.52
HTR2B P41595 1/20 0.52
KCNH2 Q12809 1/20 0.52
SIGMAR1 Q99720 11/20 0.47
SLC6A4 P31645 1/20 0.37

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
SCHEMBL13067271 0.86 ADRA1D (0.69) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL10820745 0.86 ADRA1D (0.69) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL4357336 0.83 ADRA1A (0.77) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL13623722 0.82 ADRA1D (0.50) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL14039795 0.81 ADRA1D (0.47) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL14040076 0.77 ADRA1D (0.44) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL9548034 0.75 ADRA1D (0.67) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL51245 0.75 ADRA1D (0.67) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL14040037 0.75 ADRA1D (0.36) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL11218388 0.74 ADRA1D (0.66) 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
US-7619116-B2 Intermediates for the synthesis of (R)-tamsulosin and of its pharmaceutically acceptable salts and process for their preparation Products Chimiques Auxiliaires Et de Synthese (FR) 2009-11-17 US disclosed