SCHEMBL8911012

SCHEMBL8911012

CN1CCc2c(Cl)ccc(OCc3ccco3)c2CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.56
ADRA2B P18089 5/20 0.56
ADRA2C P18825 5/20 0.56
ADRA1D P25100 3/20 0.54
ADRA1A P35348 3/20 0.54
ADRA1B P35368 3/20 0.54
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
CYP2D6 P10635 1/20 0.41
HTR6 P50406 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CCND3 P30281 1/20 0.36
CDK6 Q00534 1/20 0.36
MAPT P10636 1/20 0.36
HIF1A Q16665 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
Maleic Acid SCHEMBL8910503 0.90 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
Fumaric Acid SCHEMBL8910514 0.90 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8910163 0.78 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8910159 0.78 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8909974 0.78 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8909576 0.78 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8910508 0.77 ADRA2A (0.37) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9317176 0.76 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9316660 0.76 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8911888 0.76 ADRA2A (0.65) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639748-A HYPOTENSIVE AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1997-06-17 US claimed
EP-0630372-A1 HETEROALKOXY BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 1994-12-28 EP claimed
EP-0630372-A4 HETEROALKOXY BENZAZEPINES. SMITHKLINE BEECHAM CORP (US) 1994-07-05 EP claimed
WO-1993003015-A1 HETEROALKOXY BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 1993-02-18 WO claimed
US-5639748-A HYPOTENSIVE AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1997-06-17 US disclosed
EP-0630372-A1 HETEROALKOXY BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 1994-12-28 EP disclosed
EP-0630372-A4 HETEROALKOXY BENZAZEPINES. SMITHKLINE BEECHAM CORP (US) 1994-07-05 EP disclosed
WO-1993003015-A1 HETEROALKOXY BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 1993-02-18 WO disclosed