SCHEMBL9812016

SCHEMBL9812016

C[C@H](Cc1ccc(C(N)=O)cc1)N(C[C@H](O)COc1ccccc1)C[C@H](O)COc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.54
PARP10 Q53GL7 3/20 0.47
MAOB P27338 1/20 0.45
POLB P06746 1/20 0.44
CYP2D6 P10635 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
LMNA P02545 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
SCHEMBL9812027 1.00 ABCB1 (0.54) ABCB1PARP10MAOBPOLBCYP2D6
SCHEMBL9811973 0.91 ABCB1 (0.56) ABCB1MAOBPOLBCYP2D6ALDH1A1
SCHEMBL9812089 0.91 ABCB1 (0.56) ABCB1MAOBPOLBCYP2D6ALDH1A1
SCHEMBL9811990 0.91 ABCB1 (0.56) ABCB1MAOBPOLBCYP2D6ALDH1A1
SCHEMBL9683677 0.89 ABCB1 (0.55) ABCB1MAOBPOLBALDH1A1MAPT
SCHEMBL9683688 0.89 ABCB1 (0.55) ABCB1MAOBPOLBALDH1A1MAPT
SCHEMBL10917570 0.89 ABCB1 (0.52) ABCB1PARP10POLBCYP2D6ALDH1A1
SCHEMBL10917573 0.89 ABCB1 (0.52) ABCB1PARP10POLBCYP2D6ALDH1A1
SCHEMBL9811937 0.87 GAA (0.59) ABCB1CYP2D6ALDH1A1MAPTGAA
SCHEMBL9811986 0.87 ABCB1 (0.50) ABCB1MAOBPOLBCYP1A2TSHR

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