SCHEMBL9379441

SCHEMBL9379441

CN1CCc2c(Cl)ccc3sc(C=NO)c(c23)C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.72
ADRA2B P18089 6/20 0.72
ADRA2C P18825 6/20 0.72
ADRA1D P25100 5/20 0.72
ADRA1A P35348 5/20 0.72
ADRA1B P35368 5/20 0.72
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2D6 P10635 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
RAB9A P51151 2/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.31
GLA P06280 2/20 0.31
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 0.31
HSD17B10 Q99714 2/20 0.31

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
SCHEMBL9769667 1.00 ADRA2A (0.72) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9385077 0.99 ADRA2A (0.70) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9385082 0.99 ADRA2A (0.70) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9375576 0.84 ADRA2A (0.73) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9376352 0.84 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6660860 0.84 ADRA2A (0.77) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9375551 0.83 ADRA2A (0.72) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL6664631 0.82 ADRA2A (0.97) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10480295 0.81 ADRA2A (0.95) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9376899 0.81 ADRA2A (0.69) 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 4 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
EP-0344981-A2 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP disclosed