SCHEMBL9380973

SCHEMBL9380973

CCOC(=O)Oc1oc2ccc(Cl)c3c2c1CN(C)CC3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.54
ADRA2B P18089 5/20 0.54
ADRA2C P18825 5/20 0.54
ADRA1D P25100 4/20 0.54
ADRA1A P35348 4/20 0.54
ADRA1B P35368 4/20 0.54
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
POLB P06746 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39
OPRM1 P35372 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
CUL4A Q13619 2/20 0.35
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 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
SCHEMBL9379140 0.88 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379766 0.86 KDM4E (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379803 0.85 KDM4E (0.37) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9380692 0.85 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9380696 0.84 ALDH1A1 (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8926441 0.82 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9380937 0.81 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10466674 0.80 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9383619 0.80 ALDH1A1 (0.35) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9380025 0.80 KDM4E (0.35) 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 1 patent. 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