SCHEMBL9534502

SCHEMBL9534502

CN1CCc2c(Cl)ccc3sc(CCNS(=O)(=O)CCc4ccccc4)c(c23)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.56
ADRA1A P35348 4/20 0.56
ADRA2B P18089 3/20 0.56
ADRA2C P18825 3/20 0.56
ADRA1D P25100 3/20 0.56
ADRA1B P35368 3/20 0.56
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.34
MAPK1 P28482 1/20 0.34
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
ADORA1 P30542 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL9533714 0.92 ADRA1A (0.57) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9533861 0.81 ADRA2A (0.47) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9533257 0.79 ADRA2A (0.57) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9534446 0.78 ADRA1D (0.61) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9536017 0.76 ADRA2A (0.47) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9379609 0.76 ADRA2A (0.81) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9380820 0.75 ADRA2A (0.81) ADRA2AADRA1AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL9378836 0.75 ADRA2A (0.79) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9534480 0.75 ADRA2A (0.75) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9535603 0.74 ADRA1D (0.56) 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