SCHEMBL9534823

SCHEMBL9534823

CN1CCc2c(Cl)ccc3oc(CNC(=O)c4ccccc4)c(c23)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.51
ADRA2B P18089 2/20 0.51
ADRA2C P18825 2/20 0.51
ADRA1D P25100 2/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51
ADORA1 P30542 2/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
HDAC6 Q9UBN7 5/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
NCOR2 Q9Y618 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL9537541 0.84 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9533699 0.84 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534228 0.84 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379818 0.82 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534051 0.82 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9535724 0.79 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9382649 0.78 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8927606 0.78 ADRA2A (0.65) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9536017 0.77 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9382507 0.77 ADRA2A (0.64) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384676-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1993-11-10 EP claimed
US-4981849-A OBESITY, DIABETES, CARDIOVASCULAR DISORDERS, DEPRESSION SMITHKLINE BEECHAM CORPORATION (US) 1991-01-01 US claimed
EP-0384676-A1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-08-29 EP claimed
EP-0384676-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1993-11-10 EP disclosed
US-4981849-A OBESITY, DIABETES, CARDIOVASCULAR DISORDERS, DEPRESSION SMITHKLINE BEECHAM CORPORATION (US) 1991-01-01 US disclosed
EP-0384676-A1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-08-29 EP disclosed