SCHEMBL9811929

SCHEMBL9811929

CC(N)Oc1ccc(CC(C)N(CCc2ccccc2O)CC(O)COc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
ABCB1 P08183 4/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRB2 P07550 3/20 0.38
ADRB1 P08588 3/20 0.38
ADRB3 P13945 3/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.37
MAOB P27338 2/20 0.37
CASR P41180 1/20 0.36

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
SCHEMBL9812006 0.92 KCNH2 (0.41) KCNH2ABCB1MEN1ALDH1A1KMT2A
SCHEMBL9811971 0.87 ABCB1 (0.42) KCNH2ABCB1ALDH1A1ADRB2ADRB1
SCHEMBL9812019 0.87 ABCB1 (0.43) KCNH2ABCB1ALDH1A1ADRB2ADRB1
SCHEMBL9812058 0.86 ABCB1 (0.46) KCNH2ABCB1MEN1ALDH1A1KMT2A
SCHEMBL9812070 0.84 KCNH2 (0.41) KCNH2ABCB1ALDH1A1ADRB2ADRB1
SCHEMBL9811883 0.83 GAA (0.48) KCNH2ABCB1MEN1ALDH1A1KMT2A
SCHEMBL9811896 0.83 ABCB1 (0.40) KCNH2ABCB1ALDH1A1ADRB2ADRB1
Hydrochloric Acid SCHEMBL9811907 0.83 KCNH2 (0.41) KCNH2ABCB1ALDH1A1ADRB2ADRB1
Hydrochloric Acid SCHEMBL9812043 0.83 GAA (0.48) KCNH2ABCB1MEN1ALDH1A1KMT2A
SCHEMBL9812018 0.79 ABCB1 (0.43) KCNH2ABCB1MEN1ALDH1A1KMT2A

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