SCHEMBL9534397

SCHEMBL9534397

CN1CCc2ccc(Cl)c3oc(CNS(=O)(=O)C=Cc4ccccc4)c(c23)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 4/20 0.33
GAA P10253 2/20 0.33
HRH1 P35367 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
USP2 O75604 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL9534388 1.00 HTR6 (0.37) HTR6KMT2AMEN1ALDH1A1GAA
SCHEMBL9536315 0.88 HTR6 (0.41) HTR6KMT2AMEN1ALDH1A1GAA
SCHEMBL9536312 0.88 HTR6 (0.41) HTR6KMT2AMEN1ALDH1A1GAA
SCHEMBL9533895 0.85 ADRA2A (0.47) HTR6KMT2AMEN1ALDH1A1GAA
SCHEMBL9533899 0.85 ADRA2A (0.47) HTR6KMT2AMEN1ALDH1A1GAA
SCHEMBL9534646 0.81 KMT2A (0.38) HTR6KMT2AMEN1ALDH1A1GAA
SCHEMBL9534638 0.81 KMT2A (0.38) HTR6KMT2AMEN1ALDH1A1GAA
SCHEMBL9534428 0.79 HTR6 (0.40) HTR6KMT2AMEN1ALDH1A1GAA
SCHEMBL9534421 0.79 HTR6 (0.40) HTR6KMT2AMEN1ALDH1A1GAA
SCHEMBL9535603 0.76 ADRA1D (0.56) HTR6KMT2AMEN1ALDH1A1GAA

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