SCHEMBL9380290

SCHEMBL9380290

CN1CCc2c(Cl)ccc3oc(C(F)(F)F)c(c23)C1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.65
ADRA2B P18089 6/20 0.65
ADRA2C P18825 6/20 0.65
ADRA1D P25100 5/20 0.65
ADRA1A P35348 5/20 0.65
ADRA1B P35368 5/20 0.65
CYP2D6 P10635 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NOTUM Q6P988 1/20 0.33
HTR6 P50406 3/20 0.33
HRH1 P35367 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 SCHEMBL9382908 0.99 ADRA2A (0.64) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9381136 0.85 ADRA2A (0.64) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9380764 0.82 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379201 0.81 ADRA2A (0.74) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10535174 0.80 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9380197 0.80 ADRA2A (0.72) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9380851 0.80 ADRA2A (0.72) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379739 0.79 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9378300 0.79 ADRA2A (0.70) ADRA2AADRA2BADRA2CADRA1DADRA1A
Bromide SCHEMBL9379332 0.78 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344982-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1994-11-23 EP claimed
US-4978660-A 2-SUBSTITUTED-3,4,5,6-TETRAHYDROFURO(4,3,2-EF)(3)BENZAZEPINE SMITHKLINE BEECHAM CORPORATION (US) 1990-12-18 US claimed
WO-1989012051-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO claimed
EP-0344982-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1994-11-23 EP disclosed
US-4978660-A 2-SUBSTITUTED-3,4,5,6-TETRAHYDROFURO(4,3,2-EF)(3)BENZAZEPINE SMITHKLINE BEECHAM CORPORATION (US) 1990-12-18 US disclosed
WO-1989012051-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed
EP-0344982-A2 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP disclosed