SCHEMBL9376992

SCHEMBL9376992

C=Cc1sc2c(Cl)cc(Cl)c3c2c1CN(C)CC3

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.65
ADRA2B P18089 5/20 0.65
ADRA2C P18825 5/20 0.65
ADRA1D P25100 4/20 0.65
ADRA1A P35348 4/20 0.65
ADRA1B P35368 4/20 0.65
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
CYP2D6 P10635 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL9377714 0.87 ADRA1D (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9376352 0.79 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL6664631 0.78 ADRA2A (0.97) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10480295 0.77 ADRA2A (0.95) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534812 0.76 ADRA1D (0.50) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9376562 0.76 ADRA1D (0.50) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10465258 0.71 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9380954 0.70 KDM4E (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9379531 0.69 KDM4E (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9380036 0.68 ADRA2A (0.48) 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-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