SCHEMBL9375958

SCHEMBL9375958

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.64
ADRA2B P18089 6/20 0.64
ADRA2C P18825 6/20 0.64
ADRA1D P25100 5/20 0.64
ADRA1A P35348 5/20 0.64
ADRA1B P35368 5/20 0.64
CYP2D6 P10635 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NOTUM Q6P988 1/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
CDC7 O00311 1/20 0.32
PLK4 O00444 1/20 0.32
DYRK3 O43781 1/20 0.32
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKD3 O94806 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 SCHEMBL9377599 0.99 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10480316 0.94 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379687 0.87 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9383065 0.85 ADRA1D (0.62) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8926396 0.85 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379108 0.84 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9381078 0.84 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9377910 0.84 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379956 0.81 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9376420 0.81 ADRA2A (0.58) 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 8 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 claimed
US-4963547-A HYPOTENSIVE AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1990-10-16 US claimed
WO-1989012054-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO claimed
EP-0344979-A2 Alfa-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP claimed
EP-0344979-B1 Alfa-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1994-11-09 EP 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
EP-0344979-A2 Alfa-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP disclosed