SCHEMBL9811991

SCHEMBL9811991

CC(Cc1ccc(OCC(N)=O)cc1)N(CC(O)COc1ccccc1)CC(O)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.42
MAOB P27338 4/20 0.41
ADRB3 P13945 3/20 0.41
ADRB2 P07550 3/20 0.41
ADRB1 P08588 3/20 0.41
CYP19A1 P11511 2/20 0.41
HIF1A Q16665 2/20 0.41
ADRA1A P35348 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL9811965 1.00 ABCB1 (0.42) ABCB1MAOBADRB3ADRB2ADRB1
SCHEMBL9811980 1.00 ABCB1 (0.42) ABCB1MAOBADRB3ADRB2ADRB1
SCHEMBL9811926 0.94 MAOB (0.50) ABCB1MAOB
SCHEMBL9811922 0.94 MAOB (0.50) ABCB1MAOB
SCHEMBL9811915 0.94 MAOB (0.50) ABCB1MAOB
SCHEMBL9811986 0.90 ABCB1 (0.50) ABCB1MAOBADRB3ADRB2ADRB1
SCHEMBL9811979 0.90 ABCB1 (0.50) ABCB1MAOBADRB3ADRB2ADRB1
SCHEMBL10528644 0.87 ADRB2 (0.51) MAOBADRB3ADRB2ADRB1ADRA1A
SCHEMBL10526893 0.87 ADRB2 (0.51) MAOBADRB3ADRB2ADRB1ADRA1A
SCHEMBL10528637 0.87 ADRB2 (0.51) MAOBADRB3ADRB2ADRB1ADRA1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0170121-B1 2-HYDROXY-3-ARYLOXYPROPYL OR 2-HYDROXY-2-BENZOFURANYL ETHYL TERTIARY AMINE HAVING AN ANTI-HYPERGLYCAEMIC AND/OR ANTI-OBESITY ACTIVITY BEECHAM GROUP PLC (GB) 1991-06-19 EP disclosed
EP-0170121-A1 2-Hydroxy-3-aryloxypropyl or 2-hydroxy-2-benzofuranyl ethyl tertiary amine having an anti-hyperglycaemic and/or anti-obesity activity BEECHAM GROUP PLC (GB) 1986-02-05 EP disclosed