SCHEMBL9811950

SCHEMBL9811950

C[C@H](COc1ccc(OCC(N)=O)cc1)N(C[C@H](O)COc1ccccc1)[C@H](O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 11/20 0.50
POLB P06746 1/20 0.44
CYP1A2 P05177 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PSMB5 P28074 1/20 0.41
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
CNR1 P21554 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL9811963 0.95 ABCB1 (0.49) ABCB1POLBCYP1A2MAPTALDH1A1
SCHEMBL9812093 0.86 ABCB1 (0.51) ABCB1POLBCYP1A2MAPTALDH1A1
SCHEMBL9812011 0.86 ABCB1 (0.51) ABCB1POLBCYP1A2MAPTALDH1A1
SCHEMBL9811986 0.84 ABCB1 (0.50) ABCB1POLBCYP1A2LMNATDP1
SCHEMBL9811979 0.84 ABCB1 (0.50) ABCB1POLBCYP1A2LMNATDP1
SCHEMBL9812069 0.83 ABCB1 (0.48) ABCB1POLBCYP1A2MAPTALDH1A1
SCHEMBL9812008 0.82 ABCB1 (0.53) ABCB1CYP1A2MAPTALDH1A1CYP2D6
SCHEMBL9811982 0.82 ABCB1 (0.47) ABCB1POLBCYP1A2MAPTALDH1A1
SCHEMBL11014363 0.82 ABCB1 (0.47) ABCB1POLBCYP1A2MAPTALDH1A1
Hydrochloric Acid SCHEMBL9811904 0.82 ABCB1 (0.47) ABCB1POLBCYP1A2MAPTALDH1A1

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