SCHEMBL9536017

SCHEMBL9536017

CN1CCc2c(Cl)ccc3oc(CNS(=O)(=O)CCc4ccccc4)c(c23)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.47
ADRA1A P35348 5/20 0.47
ADRA2B P18089 3/20 0.47
ADRA2C P18825 3/20 0.47
ADRA1D P25100 3/20 0.47
ADRA1B P35368 3/20 0.47
HTR6 P50406 7/20 0.38
CHRM1 P11229 2/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL9533861 0.92 ADRA2A (0.47) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9534202 0.84 ADRA2A (0.51) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9538620 0.84 ADRA2A (0.44) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9535348 0.82 ADRA2A (0.51) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9537541 0.81 ADRA2A (0.47) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9533895 0.80 ADRA2A (0.47) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9533899 0.80 ADRA2A (0.47) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9533714 0.80 ADRA1A (0.57) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9533699 0.77 ADRA2A (0.47) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9534823 0.77 ADRA2A (0.51) ADRA2AADRA1AADRA2BADRA2CADRA1D

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
EP-0384676-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1993-11-10 EP disclosed
US-4981849-A OBESITY, DIABETES, CARDIOVASCULAR DISORDERS, DEPRESSION SMITHKLINE BEECHAM CORPORATION (US) 1991-01-01 US disclosed
EP-0384676-A1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-08-29 EP disclosed