SCHEMBL9378609

SCHEMBL9378609

C=CCOC(=O)c1sc2ccc(Cl)c3c2c1CN(C)CC3

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.58
ADRA2B P18089 6/20 0.58
ADRA2C P18825 6/20 0.58
ADRA1D P25100 4/20 0.58
ADRA1A P35348 4/20 0.58
ADRA1B P35368 4/20 0.58
KDM4E B2RXH2 6/20 0.34
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 3/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
POLB P06746 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
Hydrochloric Acid SCHEMBL9378433 0.99 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6661600 0.87 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL6660045 0.86 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10480272 0.85 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9376420 0.84 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9377803 0.83 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379353 0.81 ADRA1D (0.55) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9383065 0.80 ADRA1D (0.62) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8926396 0.80 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379687 0.80 ADRA2A (0.62) 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-0344981-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1994-08-03 EP disclosed
US-5006521-A α-adrenergic receptor antagonists and methods of use thereas SMITHKLINE BEECHAM CORPORATION (US) 1991-04-09 US disclosed
WO-1989012053-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed