SCHEMBL9811971

SCHEMBL9811971

CC(Cc1ccc(OCC(N)=O)cc1)N(CCc1ccccc1O)CC(O)COc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.42
KCNH2 Q12809 1/20 0.40
CYP1A2 P05177 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAOB P27338 2/20 0.38
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
CNR1 P21554 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL9812019 0.93 ABCB1 (0.43) ABCB1KCNH2CYP1A2ALDH1A1CYP2D6
SCHEMBL9811960 0.93 ABCB1 (0.42) ABCB1KCNH2CYP1A2ALDH1A1CYP2D6
SCHEMBL9812070 0.90 KCNH2 (0.41) ABCB1KCNH2ALDH1A1LMNAADRB2
Hydrochloric Acid SCHEMBL9811907 0.89 KCNH2 (0.41) ABCB1KCNH2CYP1A2ALDH1A1CYP2D6
SCHEMBL9811896 0.89 ABCB1 (0.40) ABCB1KCNH2CYP1A2ALDH1A1CYP2D6
SCHEMBL9812058 0.88 ABCB1 (0.46) ABCB1KCNH2CYP1A2ALDH1A1CYP2D6
SCHEMBL9811986 0.87 ABCB1 (0.50) ABCB1CYP1A2MAOBLMNATDP1
SCHEMBL9811979 0.87 ABCB1 (0.50) ABCB1CYP1A2MAOBLMNATDP1
SCHEMBL9811929 0.87 KCNH2 (0.40) ABCB1KCNH2ALDH1A1CYP2D6MAOB
SCHEMBL9812006 0.87 KCNH2 (0.41) ABCB1KCNH2CYP1A2ALDH1A1CYP2D6

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 4 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 claimed
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 claimed
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