SCHEMBL9380868

SCHEMBL9380868

CN1CCc2c(Cl)ccc3sc(CCCO)c(c23)C1

nearest known ligand 0.72

Predicted protein targets (top 15)

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
PNMT P11086 1/20 0.34
CYP2D6 P10635 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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 SCHEMBL9383736 0.99 ADRA2A (0.70) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL10480302 0.92 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9378649 0.89 ADRA2A (0.73) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9379232 0.88 ADRA2A (0.72) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6661626 0.88 ADRA2A (0.79) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379609 0.86 ADRA2A (0.81) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9384136 0.86 ADRA2A (0.77) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534480 0.85 ADRA2A (0.75) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9378836 0.85 ADRA2A (0.79) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8605175 0.84 ADRA2A (1.00) 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