SCHEMBL9533949

SCHEMBL9533949

CC(C)CS(=O)(=O)NCc1sc2ccc(Cl)c3c2c1CN(C)CC3

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.61
ADRA1A P35348 5/20 0.61
ADRA1B P35368 5/20 0.61
ADRA2A P08913 3/20 0.61
ADRA2B P18089 3/20 0.61
ADRA2C P18825 3/20 0.61
HTR1A P08908 2/20 0.33
HTR1B P28222 2/20 0.33
ASIC3 Q9UHC3 1/20 0.30

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
SCHEMBL9533714 0.83 ADRA1A (0.57) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL9534446 0.82 ADRA1D (0.61) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL10431623 0.81 ADRA2A (0.60) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL9769671 0.81 ADRA2A (0.75) ADRA1DADRA1AADRA1BADRA2AADRA2B
Hydrochloric Acid SCHEMBL9382147 0.80 ADRA2A (0.73) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL9535348 0.79 ADRA2A (0.51) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL9533309 0.78 ADRA1D (0.68) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL9535603 0.78 ADRA1D (0.56) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL9535598 0.78 ADRA1D (0.56) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL8605175 0.77 ADRA2A (1.00) ADRA1DADRA1AADRA1BADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384677-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1993-12-01 EP claimed
US-4981848-A CARDIOVASCULAR, HYPOTENSIVE, ANTIDEPRESSANT SMITHKLINE BEECHAM CORPORATION (US) 1991-01-01 US claimed
EP-0384677-A1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-08-29 EP claimed
EP-0384677-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1993-12-01 EP disclosed
US-4981848-A CARDIOVASCULAR, HYPOTENSIVE, ANTIDEPRESSANT SMITHKLINE BEECHAM CORPORATION (US) 1991-01-01 US disclosed
EP-0384677-A1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-08-29 EP disclosed