SCHEMBL9811979

SCHEMBL9811979

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.50
MAOB P27338 4/20 0.46
ADRB2 P07550 3/20 0.45
ADRB1 P08588 3/20 0.45
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP1A2 P05177 2/20 0.45
CNR1 P21554 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
ADRB3 P13945 2/20 0.44

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
SCHEMBL9811986 1.00 ABCB1 (0.50) ABCB1MAOBADRB2ADRB1LMNA
SCHEMBL9812047 0.92 ABCB1 (0.53) ABCB1MAOBADRB2ADRB1CYP1A2
SCHEMBL9812066 0.92 ABCB1 (0.53) ABCB1MAOBADRB2ADRB1CYP1A2
SCHEMBL9811965 0.90 ABCB1 (0.42) ABCB1MAOBADRB2ADRB1LMNA
SCHEMBL9811991 0.90 ABCB1 (0.42) ABCB1MAOBADRB2ADRB1LMNA
SCHEMBL9811980 0.90 ABCB1 (0.42) ABCB1MAOBADRB2ADRB1LMNA
SCHEMBL9811926 0.89 MAOB (0.50) ABCB1MAOB
SCHEMBL9811922 0.89 MAOB (0.50) ABCB1MAOB
SCHEMBL9811915 0.89 MAOB (0.50) ABCB1MAOB
SCHEMBL9811971 0.87 ABCB1 (0.42) ABCB1MAOBADRB2ADRB1LMNA

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