SCHEMBL8927557

SCHEMBL8927557

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

nearest known ligand 0.65

Predicted protein targets (top 12)

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
ERN1 O75460 1/20 0.39
CYP2D6 P10635 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HTR6 P50406 3/20 0.35
ALDH1A1 P00352 1/20 0.32
MAPT P10636 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
SCHEMBL10466192 0.86 ADRA2A (0.65) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9381033 0.85 ADRA2A (0.64) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10465203 0.84 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9380305 0.84 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379430 0.83 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379433 0.83 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379949 0.83 PNMT (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9378315 0.83 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10465444 0.83 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10465261 0.83 ADRA2A (0.57) 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 15 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-0344980-A2 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP claimed
US-5599810-A ADMINISTERING IN TREATMENT OF BENIGN PROSTATIC HYPERTROPHY, PERIPHERAL VASCULAR DISEASE AND CONGESTIVE HEART FAILURE SMITHKLINE BEECHAM CORPORATION (US) 1997-02-04 US disclosed
EP-0684949-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-06 EP disclosed
EP-0684949-A4 CHEMICAL COMPOUNDS. SMITHKLINE BEECHAM CORP (US) 1995-10-13 EP disclosed
EP-0344982-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1994-11-23 EP disclosed
WO-1994019354-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-09-01 WO 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
US-4959360-A α-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-09-25 US disclosed
WO-1989012051-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed
WO-1989012050-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
EP-0344980-A2 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP disclosed