SCHEMBL9533895

SCHEMBL9533895

CN1CCc2c(Cl)ccc3oc(CNS(=O)(=O)/C=C/c4ccccc4)c(c23)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.47
ADRA2B P18089 3/20 0.47
ADRA2C P18825 3/20 0.47
ADRA1D P25100 3/20 0.47
ADRA1A P35348 3/20 0.47
ADRA1B P35368 3/20 0.47
HTR6 P50406 6/20 0.40
KMT2A Q03164 2/20 0.36
HRH1 P35367 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL9533899 1.00 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534421 0.90 HTR6 (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534428 0.90 HTR6 (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9536315 0.87 HTR6 (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9536312 0.87 HTR6 (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534397 0.85 HTR6 (0.37) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534388 0.85 HTR6 (0.37) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534202 0.84 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9535603 0.81 ADRA1D (0.56) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9535598 0.81 ADRA1D (0.56) ADRA2AADRA2BADRA2CADRA1DADRA1A

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