SCHEMBL9534428

SCHEMBL9534428

Cc1ccc2oc(CNS(=O)(=O)C=Cc3ccccc3)c3c2c1CCN(C)C3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.40
HRH1 P35367 2/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.34
ADRA2A P08913 2/20 0.34
ADRA1A P35348 2/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1B P35368 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL9534421 1.00 HTR6 (0.40) HTR6HRH1MEN1KMT2AALDH1A1
SCHEMBL9533899 0.90 ADRA2A (0.47) HTR6HRH1MEN1KMT2AALDH1A1
SCHEMBL9533895 0.90 ADRA2A (0.47) HTR6HRH1MEN1KMT2AALDH1A1
SCHEMBL9536312 0.81 HTR6 (0.41) HTR6HRH1MEN1KMT2AALDH1A1
SCHEMBL9536315 0.81 HTR6 (0.41) HTR6HRH1MEN1KMT2AALDH1A1
SCHEMBL9536308 0.80 ADRA2A (0.42) HTR6HRH1MEN1KMT2AALDH1A1
SCHEMBL9533677 0.80 ADRA2A (0.42) HTR6HRH1MEN1KMT2AALDH1A1
SCHEMBL9534388 0.79 HTR6 (0.37) HTR6HRH1MEN1KMT2AALDH1A1
SCHEMBL9534397 0.79 HTR6 (0.37) HTR6HRH1MEN1KMT2AALDH1A1
SCHEMBL9534202 0.73 ADRA2A (0.51) HTR6ALDH1A1GAAADRA2AADRA1A

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