SCHEMBL9533677

SCHEMBL9533677

Cc1ccc2sc(CNS(=O)(=O)C=Cc3ccccc3)c3c2c1CCN(C)C3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.42
ADRA1A P35348 3/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1B P35368 2/20 0.42
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
CDYL Q9Y232 1/20 0.34
GAA P10253 1/20 0.34
HRH1 P35367 2/20 0.33
HTR6 P50406 2/20 0.33
LMNA P02545 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
DRD2 P14416 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
SCHEMBL9536308 1.00 ADRA2A (0.42) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9535598 0.90 ADRA1D (0.56) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9535603 0.90 ADRA1D (0.56) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9534421 0.80 HTR6 (0.40) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9534428 0.80 HTR6 (0.40) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9535318 0.80 ADRA1A (0.39) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9535323 0.80 ADRA1A (0.39) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9534638 0.79 KMT2A (0.38) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9534646 0.79 KMT2A (0.38) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9534446 0.73 ADRA1D (0.61) 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-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