SCHEMBL6135589

SCHEMBL6135589

C[C@H](Cc1ccc(O)c(S(N)(=O)=O)c1)NCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.57
ADRA1D P25100 4/20 0.53
ADRA1A P35348 4/20 0.53
ADRA1B P35368 4/20 0.53
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
DRD2 P14416 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
HTR2A P28223 1/20 0.50
HTR7 P34969 1/20 0.50
OPRM1 P35372 1/20 0.50
DRD3 P35462 1/20 0.50
HTR2B P41595 1/20 0.50
KCNH2 Q12809 1/20 0.50
OPRK1 P41145 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 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
SCHEMBL6135591 1.00 SIGMAR1 (0.57) SIGMAR1ADRA1DADRA1AADRA1BADRB2
SCHEMBL6135925 0.85 ADRA1D (0.73) SIGMAR1ADRA1DADRA1AADRA1BADRB2
SCHEMBL6135926 0.85 ADRA1D (0.73) SIGMAR1ADRA1DADRA1AADRA1BADRB2
SCHEMBL15305044 0.82 ADRA1A (0.47) SIGMAR1ADRA1DADRA1AADRA1BADRB2
SCHEMBL11873153 0.80 LMNA (0.45) SIGMAR1ADRA1DADRA1AADRB2ADRB1
Hydrochloric Acid SCHEMBL11880845 0.79 KDM4E (0.46) SIGMAR1ADRA1DADRA1AADRB2ADRB1
SCHEMBL5885901 0.79 SIGMAR1 (0.55) SIGMAR1ADRA1DADRA1AADRA1BADRB2
SCHEMBL5885894 0.79 SIGMAR1 (0.55) SIGMAR1ADRA1DADRA1AADRA1BADRB2
SCHEMBL4869574 0.79 ADRA1A (0.80) SIGMAR1ADRA1DADRA1AADRA1BADRB2
Hydrochloric Acid SCHEMBL9124000 0.78 ADRA1A (0.75) SIGMAR1ADRA1DADRA1AADRA1BADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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