SCHEMBL9534480

SCHEMBL9534480

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

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.75
ADRA2B P18089 6/20 0.75
ADRA2C P18825 6/20 0.75
ADRA1D P25100 6/20 0.75
ADRA1A P35348 6/20 0.75
ADRA1B P35368 6/20 0.75
ASIC3 Q9UHC3 1/20 0.37
CYP2D6 P10635 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PNMT P11086 1/20 0.33
HTR1A P08908 1/20 0.32
HTR1B P28222 1/20 0.32
PRKCI P41743 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
SCHEMBL9536107 0.90 ADRA2A (0.79) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379609 0.89 ADRA2A (0.81) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9534711 0.89 ADRA2A (0.77) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9378836 0.88 ADRA2A (0.79) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9378649 0.86 ADRA2A (0.73) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9380820 0.86 ADRA2A (0.81) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8605175 0.86 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9379232 0.85 ADRA2A (0.72) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9380868 0.85 ADRA2A (0.72) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9377952 0.85 ADRA2A (0.97) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384677-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1993-12-01 EP disclosed
US-4981848-A CARDIOVASCULAR, HYPOTENSIVE, ANTIDEPRESSANT SMITHKLINE BEECHAM CORPORATION (US) 1991-01-01 US disclosed
EP-0384677-A1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-08-29 EP disclosed