SCHEMBL9375576

SCHEMBL9375576

CC(C)=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.73
ADRA2B P18089 6/20 0.73
ADRA2C P18825 6/20 0.73
ADRA1D P25100 5/20 0.73
ADRA1A P35348 5/20 0.73
ADRA1B P35368 5/20 0.73
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NOTUM Q6P988 1/20 0.32
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31
MKNK1 Q9BUB5 1/20 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
Hydrochloric Acid SCHEMBL9375551 0.99 ADRA2A (0.72) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9377457 0.87 ADRA2A (0.66) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9382952 0.86 ADRA2A (0.65) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9381058 0.85 ADRA2A (0.66) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9376373 0.85 ADRA2A (0.66) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9376352 0.85 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6660860 0.85 ADRA2A (0.77) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9376449 0.84 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9769667 0.84 ADRA2A (0.72) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379441 0.84 ADRA2A (0.72) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344979-B1 Alfa-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1994-11-09 EP disclosed
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
US-4963547-A HYPOTENSIVE AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1990-10-16 US disclosed
WO-1989012054-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed
WO-1989012053-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed
EP-0344979-A2 Alfa-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP disclosed