SCHEMBL10466680

SCHEMBL10466680

CN1CCc2c(Cl)ccc3oc(/C=C/S(C)(=O)=O)c(c23)C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.57
ADRA2B P18089 6/20 0.57
ADRA2C P18825 6/20 0.57
ADRA1D P25100 5/20 0.57
ADRA1A P35348 5/20 0.57
ADRA1B P35368 5/20 0.57
HTR6 P50406 3/20 0.38
ERN1 O75460 1/20 0.33
CYP2D6 P10635 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL10466705 1.00 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10465201 0.88 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10466589 0.88 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8927548 0.87 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10466707 0.86 ADRA2A (0.52) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL8926448 0.86 ADRA2A (0.52) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10466276 0.85 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10466195 0.85 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL10480281 0.85 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10465249 0.83 ADRA2A (0.49) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4959360-A α-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-09-25 US claimed
WO-1989012050-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO claimed
EP-0344980-A2 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP claimed
US-4959360-A α-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-09-25 US disclosed
WO-1989012050-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed